data_SSZ-58_idealized_OSDA
_space_group_crystal_system       triclinic
_space_group_IT_number            1
_space_group_name_H-M_alt         'P 1'
_space_group_name_Hall            ' P 1'
_symmetry_space_group_name_H-M    'P 1'
_symmetry_space_group_name_Hall   ' P 1'
_symmetry_Int_Tables_number       1
_cell_length_a                    25.1484
_cell_length_b                    12.51857
_cell_length_c                    12.86784
_cell_angle_alpha                 90.0
_cell_angle_beta                  90.0
_cell_angle_gamma                 90.0
_cell_volume                      4051.07919896
loop_
  _space_group_symop_operation_xyz
  'x,y,z'
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  N1a     N     0.515820  -0.506700   0.911700  0.037995  Uiso  1.000000
  C1a     C     0.563750  -0.568000   0.941100  0.037995  Uiso  1.000000
  C2a     C     0.612690  -0.495000   0.928800  0.037995  Uiso  1.000000
  C3a     C     0.663360  -0.561600   0.942300  0.037995  Uiso  1.000000
  C4a     C     0.683400  -0.596700   0.834800  0.037995  Uiso  1.000000
  C5a     C     0.476080  -0.508300   0.997400  0.037995  Uiso  1.000000
  C6a     C     0.438550  -0.604400   0.983700  0.037995  Uiso  1.000000
  C7a     C     0.381420  -0.563600   0.968700  0.037995  Uiso  1.000000
  C8a     C     0.376700  -0.450000   1.014500  0.037995  Uiso  1.000000
  C9a     C     0.370550  -0.456400   1.133700  0.037995  Uiso  1.000000
  C10a    C     0.422800  -0.422500   1.186100  0.037995  Uiso  1.000000
  C11a    C     0.460750  -0.519500   1.193300  0.037995  Uiso  1.000000
  C12a    C     0.503710  -0.514100   1.105700  0.037995  Uiso  1.000000
  C13a    C     0.531800  -0.394900   0.887800  0.037995  Uiso  1.000000
  C14a    C     0.536200  -0.385400   0.768400  0.037995  Uiso  1.000000
  C15a    C     0.511000  -0.486400   0.722400  0.037995  Uiso  1.000000
  C16a    C     0.492200  -0.553900   0.816000  0.037995  Uiso  1.000000
  N1b     N     -0.015820  -0.506700   0.911700  0.037995  Uiso  1.000000
  C1b     C     -0.063750  -0.568000   0.941100  0.037995  Uiso  1.000000
  C2b     C     -0.112690  -0.495000   0.928800  0.037995  Uiso  1.000000
  C3b     C     -0.163360  -0.561600   0.942300  0.037995  Uiso  1.000000
  C4b     C     -0.183400  -0.596700   0.834800  0.037995  Uiso  1.000000
  C5b     C      0.023920  -0.508300   0.997400  0.037995  Uiso  1.000000
  C6b     C      0.061450  -0.604400   0.983700  0.037995  Uiso  1.000000
  C7b     C      0.118580  -0.563600   0.968700  0.037995  Uiso  1.000000
  C8b     C      0.123300  -0.450000   1.014500  0.037995  Uiso  1.000000
  C9b     C      0.129450  -0.456400   1.133700  0.037995  Uiso  1.000000
  C10b    C      0.077200  -0.422500   1.186100  0.037995  Uiso  1.000000
  C11b    C      0.039250  -0.519500   1.193300  0.037995  Uiso  1.000000
  C12b    C     -0.003710  -0.514100   1.105700  0.037995  Uiso  1.000000
  C13b    C     -0.031800  -0.394900   0.887800  0.037995  Uiso  1.000000
  C14b    C     -0.036200  -0.385400   0.768400  0.037995  Uiso  1.000000
  C15b    C     -0.011000  -0.486400   0.722400  0.037995  Uiso  1.000000
  C16b    C      0.007800  -0.553900   0.816000  0.037995  Uiso  1.000000
  Si1a    Si    0.134320   0.190680   0.347100  0.014692  Uiso  1.000000
  Si1b    Si    0.634320  -0.190680  -0.347100  0.014692  Uiso  1.000000
  Si1c    Si   -0.134320   0.190680  -0.347100  0.014692  Uiso  1.000000
  Si1d    Si    0.365680  -0.190680   0.347100  0.014692  Uiso  1.000000
  Si1e    Si   -0.134320  -0.190680  -0.347100  0.014692  Uiso  1.000000
  Si1f    Si   -0.634320   0.190680   0.347100  0.014692  Uiso  1.000000
  Si1g    Si    0.134320  -0.190680   0.347100  0.014692  Uiso  1.000000
  Si1h    Si   -0.365680   0.190680  -0.347100  0.014692  Uiso  1.000000
  Si2a    Si    0.150440   0.122100   0.117840  0.014692  Uiso  0.917000
  Si2b    Si    0.650440  -0.122100  -0.117840  0.014692  Uiso  0.917000
  Si2c    Si   -0.150440   0.122100  -0.117840  0.014692  Uiso  0.917000
  Si2d    Si    0.349560  -0.122100   0.117840  0.014692  Uiso  0.917000
  Si2e    Si   -0.150440  -0.122100  -0.117840  0.014692  Uiso  0.917000
  Si2f    Si   -0.650440   0.122100   0.117840  0.014692  Uiso  0.917000
  Si2g    Si    0.150440  -0.122100   0.117840  0.014692  Uiso  0.917000
  Si2h    Si   -0.349560   0.122100  -0.117840  0.014692  Uiso  0.917000
  Si2a    B     0.150440   0.122100   0.117840  0.014692  Uiso  0.083000
  Si2b    B     0.650440  -0.122100  -0.117840  0.014692  Uiso  0.083000
  Si2c    B    -0.150440   0.122100  -0.117840  0.014692  Uiso  0.083000
  Si2d    B     0.349560  -0.122100   0.117840  0.014692  Uiso  0.083000
  Si2e    B    -0.150440  -0.122100  -0.117840  0.014692  Uiso  0.083000
  Si2f    B    -0.650440   0.122100   0.117840  0.014692  Uiso  0.083000
  Si2g    B     0.150440  -0.122100   0.117840  0.014692  Uiso  0.083000
  Si2h    B    -0.349560   0.122100  -0.117840  0.014692  Uiso  0.083000
  Si3a    Si    0.080390   0.194500   0.741190  0.014692  Uiso  1.000000
  Si3b    Si    0.580390  -0.194500  -0.741190  0.014692  Uiso  1.000000
  Si3c    Si   -0.080390   0.194500  -0.741190  0.014692  Uiso  1.000000
  Si3d    Si    0.419610  -0.194500   0.741190  0.014692  Uiso  1.000000
  Si3e    Si   -0.080390  -0.194500  -0.741190  0.014692  Uiso  1.000000
  Si3f    Si   -0.580390   0.194500   0.741190  0.014692  Uiso  1.000000
  Si3g    Si    0.080390  -0.194500   0.741190  0.014692  Uiso  1.000000
  Si3h    Si   -0.419610   0.194500  -0.741190  0.014692  Uiso  1.000000
  Si4a    Si    0.155560   0.376630   0.684610  0.014692  Uiso  1.000000
  Si4b    Si    0.655560  -0.376630  -0.684610  0.014692  Uiso  1.000000
  Si4c    Si   -0.155560   0.376630  -0.684610  0.014692  Uiso  1.000000
  Si4d    Si    0.344440  -0.376630   0.684610  0.014692  Uiso  1.000000
  Si4e    Si   -0.155560  -0.376630  -0.684610  0.014692  Uiso  1.000000
  Si4f    Si   -0.655560   0.376630   0.684610  0.014692  Uiso  1.000000
  Si4g    Si    0.155560  -0.376630   0.684610  0.014692  Uiso  1.000000
  Si4h    Si   -0.344440   0.376630  -0.684610  0.014692  Uiso  1.000000
  Si5a    Si    0.189550   0.000000   0.458800  0.014692  Uiso  1.000000
  Si5b    Si    0.689550   0.000000  -0.458800  0.014692  Uiso  1.000000
  Si5c    Si   -0.189550   0.000000  -0.458800  0.014692  Uiso  1.000000
  Si5d    Si    0.310450   0.000000   0.458800  0.014692  Uiso  1.000000
  Si6e    Si    0.152670   0.000000   0.689100  0.014692  Uiso  1.000000
  Si6f    Si    0.652670   0.000000  -0.689100  0.014692  Uiso  1.000000
  Si6g    Si   -0.152670   0.000000  -0.689100  0.014692  Uiso  1.000000
  Si6h    Si    0.347330   0.000000   0.689100  0.014692  Uiso  1.000000
  Si7a    Si    0.018230   0.124250   0.382210  0.014692  Uiso  0.906000
  Si7b    Si    0.518230  -0.124250  -0.382210  0.014692  Uiso  0.906000
  Si7c    Si   -0.018230   0.124250  -0.382210  0.014692  Uiso  0.906000
  Si7d    Si    0.481770  -0.124250   0.382210  0.014692  Uiso  0.906000
  Si7e    Si   -0.018230  -0.124250  -0.382210  0.014692  Uiso  0.906000
  Si7f    Si   -0.518230   0.124250   0.382210  0.014692  Uiso  0.906000
  Si7g    Si    0.018230  -0.124250   0.382210  0.014692  Uiso  0.906000
  Si7h    Si   -0.481770   0.124250  -0.382210  0.014692  Uiso  0.906000
  Si7a    B     0.018230   0.124250   0.382210  0.014692  Uiso  0.094000
  Si7b    B     0.518230  -0.124250  -0.382210  0.014692  Uiso  0.094000
  Si7c    B    -0.018230   0.124250  -0.382210  0.014692  Uiso  0.094000
  Si7d    B     0.481770  -0.124250   0.382210  0.014692  Uiso  0.094000
  Si7e    B    -0.018230  -0.124250  -0.382210  0.014692  Uiso  0.094000
  Si7f    B    -0.518230   0.124250   0.382210  0.014692  Uiso  0.094000
  Si7g    B     0.018230  -0.124250   0.382210  0.014692  Uiso  0.094000
  Si7h    B    -0.481770   0.124250  -0.382210  0.014692  Uiso  0.094000
  Si8a    Si    0.189380   0.374990   0.452910  0.014692  Uiso  0.942000
  Si8b    Si    0.689380  -0.374990  -0.452910  0.014692  Uiso  0.942000
  Si8c    Si   -0.189380   0.374990  -0.452910  0.014692  Uiso  0.942000
  Si8d    Si    0.310620  -0.374990   0.452910  0.014692  Uiso  0.942000
  Si8e    Si   -0.189380  -0.374990  -0.452910  0.014692  Uiso  0.942000
  Si8f    Si   -0.689380   0.374990   0.452910  0.014692  Uiso  0.942000
  Si8g    Si    0.189380  -0.374990   0.452910  0.014692  Uiso  0.942000
  Si8h    Si   -0.310620   0.374990  -0.452910  0.014692  Uiso  0.942000
  Si8a    B     0.189380   0.374990   0.452910  0.014692  Uiso  0.058000
  Si8b    B     0.689380  -0.374990  -0.452910  0.014692  Uiso  0.058000
  Si8c    B    -0.189380   0.374990  -0.452910  0.014692  Uiso  0.058000
  Si8d    B     0.310620  -0.374990   0.452910  0.014692  Uiso  0.058000
  Si8e    B    -0.189380  -0.374990  -0.452910  0.014692  Uiso  0.058000
  Si8f    B    -0.689380   0.374990   0.452910  0.014692  Uiso  0.058000
  Si8g    B     0.189380  -0.374990   0.452910  0.014692  Uiso  0.058000
  Si8h    B    -0.310620   0.374990  -0.452910  0.014692  Uiso  0.058000
  Si9a    Si    0.250000   0.192700   0.995500  0.014692  Uiso  1.000000
  Si9b    Si    0.750000  -0.192700  -0.995500  0.014692  Uiso  1.000000
  Si9c    Si   -0.250000   0.192700  -0.995500  0.014692  Uiso  1.000000
  Si9d    Si    0.250000  -0.192700   0.995500  0.014692  Uiso  1.000000
  Si10a   Si    0.250000   0.000000   0.842400  0.014692  Uiso  1.000000
  Si10b   Si    0.750000   0.000000  -0.842400  0.014692  Uiso  1.000000
  Si11a   Si    0.058120   0.122500   0.962600  0.014692  Uiso  1.000000
  Si11b   Si    0.558120  -0.122500  -0.962600  0.014692  Uiso  1.000000
  Si11c   Si   -0.058120   0.122500  -0.962600  0.014692  Uiso  1.000000
  Si11d   Si    0.441880  -0.122500   0.962600  0.014692  Uiso  1.000000
  Si11e   Si   -0.058120  -0.122500  -0.962600  0.014692  Uiso  1.000000
  Si11f   Si   -0.558120   0.122500   0.962600  0.014692  Uiso  1.000000
  Si11g   Si    0.058120  -0.122500   0.962600  0.014692  Uiso  1.000000
  Si11h   Si   -0.441880   0.122500  -0.962600  0.014692  Uiso  1.000000
  Si12a   Si    0.250000   0.375700   0.836500  0.014692  Uiso  1.000000
  Si12b   Si    0.750000  -0.375700  -0.836500  0.014692  Uiso  1.000000
  Si12c   Si   -0.250000   0.375700  -0.836500  0.014692  Uiso  1.000000
  Si12d   Si    0.250000  -0.375700   0.836500  0.014692  Uiso  1.000000
  O1a     O     0.164400   0.105500   0.411300  0.032423  Uiso  1.000000
  O1b     O     0.664400  -0.105500  -0.411300  0.032423  Uiso  1.000000
  O1c     O    -0.164400   0.105500  -0.411300  0.032423  Uiso  1.000000
  O1d     O     0.335600  -0.105500   0.411300  0.032423  Uiso  1.000000
  O1e     O    -0.164400  -0.105500  -0.411300  0.032423  Uiso  1.000000
  O1f     O    -0.664400   0.105500   0.411300  0.032423  Uiso  1.000000
  O1g     O     0.164400  -0.105500   0.411300  0.032423  Uiso  1.000000
  O1h     O    -0.335600   0.105500  -0.411300  0.032423  Uiso  1.000000
  O2a     O     0.073250   0.179000   0.368400  0.032423  Uiso  1.000000
  O2b     O     0.573250  -0.179000  -0.368400  0.032423  Uiso  1.000000
  O2c     O    -0.073250   0.179000  -0.368400  0.032423  Uiso  1.000000
  O2d     O     0.426750  -0.179000   0.368400  0.032423  Uiso  1.000000
  O2e     O    -0.073250  -0.179000  -0.368400  0.032423  Uiso  1.000000
  O2f     O    -0.573250   0.179000   0.368400  0.032423  Uiso  1.000000
  O2g     O     0.073250  -0.179000   0.368400  0.032423  Uiso  1.000000
  O2h     O    -0.426750   0.179000  -0.368400  0.032423  Uiso  1.000000
  O3a     O     0.152850   0.306400   0.378700  0.032423  Uiso  1.000000
  O3b     O     0.652850  -0.306400  -0.378700  0.032423  Uiso  1.000000
  O3c     O    -0.152850   0.306400  -0.378700  0.032423  Uiso  1.000000
  O3d     O     0.347150  -0.306400   0.378700  0.032423  Uiso  1.000000
  O3e     O    -0.152850  -0.306400  -0.378700  0.032423  Uiso  1.000000
  O3f     O    -0.652850   0.306400   0.378700  0.032423  Uiso  1.000000
  O3g     O     0.152850  -0.306400   0.378700  0.032423  Uiso  1.000000
  O3h     O    -0.347150   0.306400  -0.378700  0.032423  Uiso  1.000000
  O4a     O     0.144630   0.171200   0.229600  0.032423  Uiso  1.000000
  O4b     O     0.644630  -0.171200  -0.229600  0.032423  Uiso  1.000000
  O4c     O    -0.144630   0.171200  -0.229600  0.032423  Uiso  1.000000
  O4d     O     0.355370  -0.171200   0.229600  0.032423  Uiso  1.000000
  O4e     O    -0.144630  -0.171200  -0.229600  0.032423  Uiso  1.000000
  O4f     O    -0.644630   0.171200   0.229600  0.032423  Uiso  1.000000
  O4g     O     0.144630  -0.171200   0.229600  0.032423  Uiso  1.000000
  O4h     O    -0.355370   0.171200  -0.229600  0.032423  Uiso  1.000000
  O5a     O     0.198590   0.179600   0.065000  0.032423  Uiso  1.000000
  O5b     O     0.698590  -0.179600  -0.065000  0.032423  Uiso  1.000000
  O5c     O    -0.198590   0.179600  -0.065000  0.032423  Uiso  1.000000
  O5d     O     0.301410  -0.179600   0.065000  0.032423  Uiso  1.000000
  O5e     O    -0.198590  -0.179600  -0.065000  0.032423  Uiso  1.000000
  O5f     O    -0.698590   0.179600   0.065000  0.032423  Uiso  1.000000
  O5g     O     0.198590  -0.179600   0.065000  0.032423  Uiso  1.000000
  O5h     O    -0.301410   0.179600  -0.065000  0.032423  Uiso  1.000000
  O6a     O     0.161800   0.000000   0.125300  0.032423  Uiso  1.000000
  O6b     O     0.661800   0.000000  -0.125300  0.032423  Uiso  1.000000
  O6c     O    -0.161800   0.000000  -0.125300  0.032423  Uiso  1.000000
  O6d     O     0.338200   0.000000   0.125300  0.032423  Uiso  1.000000
  O7a     O     0.097990   0.143600   0.054300  0.032423  Uiso  1.000000
  O7b     O     0.597990  -0.143600  -0.054300  0.032423  Uiso  1.000000
  O7c     O    -0.097990   0.143600  -0.054300  0.032423  Uiso  1.000000
  O7d     O     0.402010  -0.143600   0.054300  0.032423  Uiso  1.000000
  O7e     O    -0.097990  -0.143600  -0.054300  0.032423  Uiso  1.000000
  O7f     O    -0.597990   0.143600   0.054300  0.032423  Uiso  1.000000
  O7g     O     0.097990  -0.143600   0.054300  0.032423  Uiso  1.000000
  O7h     O    -0.402010   0.143600  -0.054300  0.032423  Uiso  1.000000
  O8a     O     0.077710   0.188900   0.864100  0.032423  Uiso  1.000000
  O8b     O     0.577710  -0.188900  -0.864100  0.032423  Uiso  1.000000
  O8c     O    -0.077710   0.188900  -0.864100  0.032423  Uiso  1.000000
  O8d     O     0.422290  -0.188900   0.864100  0.032423  Uiso  1.000000
  O8e     O    -0.077710  -0.188900  -0.864100  0.032423  Uiso  1.000000
  O8f     O    -0.577710   0.188900   0.864100  0.032423  Uiso  1.000000
  O8g     O     0.077710  -0.188900   0.864100  0.032423  Uiso  1.000000
  O8h     O    -0.422290   0.188900  -0.864100  0.032423  Uiso  1.000000
  O9a     O     0.023390   0.178700   0.692100  0.032423  Uiso  1.000000
  O9b     O     0.523390  -0.178700  -0.692100  0.032423  Uiso  1.000000
  O9c     O    -0.023390   0.178700  -0.692100  0.032423  Uiso  1.000000
  O9d     O     0.476610  -0.178700   0.692100  0.032423  Uiso  1.000000
  O9e     O    -0.023390  -0.178700  -0.692100  0.032423  Uiso  1.000000
  O9f     O    -0.523390   0.178700   0.692100  0.032423  Uiso  1.000000
  O9g     O     0.023390  -0.178700   0.692100  0.032423  Uiso  1.000000
  O9h     O    -0.476610   0.178700  -0.692100  0.032423  Uiso  1.000000
  O10a    O     0.117640   0.103900   0.701400  0.032423  Uiso  1.000000
  O10b    O     0.617640  -0.103900  -0.701400  0.032423  Uiso  1.000000
  O10c    O    -0.117640   0.103900  -0.701400  0.032423  Uiso  1.000000
  O10d    O     0.382360  -0.103900   0.701400  0.032423  Uiso  1.000000
  O10e    O    -0.117640  -0.103900  -0.701400  0.032423  Uiso  1.000000
  O10f    O    -0.617640   0.103900   0.701400  0.032423  Uiso  1.000000
  O10g    O     0.117640  -0.103900   0.701400  0.032423  Uiso  1.000000
  O10h    O    -0.382360   0.103900  -0.701400  0.032423  Uiso  1.000000
  O11a    O     0.102730   0.308500   0.707400  0.032423  Uiso  1.000000
  O11b    O     0.602730  -0.308500  -0.707400  0.032423  Uiso  1.000000
  O11c    O    -0.102730   0.308500  -0.707400  0.032423  Uiso  1.000000
  O11d    O     0.397270  -0.308500   0.707400  0.032423  Uiso  1.000000
  O11e    O    -0.102730  -0.308500  -0.707400  0.032423  Uiso  1.000000
  O11f    O    -0.602730   0.308500   0.707400  0.032423  Uiso  1.000000
  O11g    O     0.102730  -0.308500   0.707400  0.032423  Uiso  1.000000
  O11h    O    -0.397270   0.308500  -0.707400  0.032423  Uiso  1.000000
  O12a    O     0.142200   0.500000   0.689900  0.032423  Uiso  1.000000
  O12b    O     0.642200  -0.500000  -0.689900  0.032423  Uiso  1.000000
  O12c    O    -0.142200   0.500000  -0.689900  0.032423  Uiso  1.000000
  O12d    O     0.357800  -0.500000   0.689900  0.032423  Uiso  1.000000
  O13e    O     0.178400   0.344800   0.572000  0.032423  Uiso  1.000000
  O13f    O     0.678400  -0.344800  -0.572000  0.032423  Uiso  1.000000
  O13g    O    -0.178400   0.344800  -0.572000  0.032423  Uiso  1.000000
  O13h    O     0.321600  -0.344800   0.572000  0.032423  Uiso  1.000000
  O13a    O    -0.178400  -0.344800  -0.572000  0.032423  Uiso  1.000000
  O13b    O    -0.678400   0.344800   0.572000  0.032423  Uiso  1.000000
  O13c    O     0.178400  -0.344800   0.572000  0.032423  Uiso  1.000000
  O13d    O    -0.321600   0.344800  -0.572000  0.032423  Uiso  1.000000
  O14a    O     0.198220   0.346500   0.770600  0.032423  Uiso  1.000000
  O14b    O     0.698220  -0.346500  -0.770600  0.032423  Uiso  1.000000
  O14c    O    -0.198220   0.346500  -0.770600  0.032423  Uiso  1.000000
  O14d    O     0.301780  -0.346500   0.770600  0.032423  Uiso  1.000000
  O14e    O    -0.198220  -0.346500  -0.770600  0.032423  Uiso  1.000000
  O14f    O    -0.698220   0.346500   0.770600  0.032423  Uiso  1.000000
  O14g    O     0.198220  -0.346500   0.770600  0.032423  Uiso  1.000000
  O14h    O    -0.301780   0.346500  -0.770600  0.032423  Uiso  1.000000
  O15a    O     0.179970   0.000000   0.579700  0.032423  Uiso  1.000000
  O15b    O     0.679970   0.000000  -0.579700  0.032423  Uiso  1.000000
  O15c    O    -0.179970   0.000000  -0.579700  0.032423  Uiso  1.000000
  O15d    O     0.320030   0.000000   0.579700  0.032423  Uiso  1.000000
  O16a    O     0.250000   0.000000   0.434300  0.032423  Uiso  1.000000
  O16b    O     0.750000   0.000000  -0.434300  0.032423  Uiso  1.000000
  O17a    O     0.198040   0.000000   0.772800  0.032423  Uiso  1.000000
  O17b    O     0.698040   0.000000  -0.772800  0.032423  Uiso  1.000000
  O17c    O    -0.198040   0.000000  -0.772800  0.032423  Uiso  1.000000
  O17d    O     0.301960   0.000000   0.772800  0.032423  Uiso  1.000000
  O18a    O     0.000000   0.140900   0.500000  0.032423  Uiso  1.000000
  O18b    O     0.500000  -0.140900  -0.500000  0.032423  Uiso  1.000000
  O18c    O     0.000000  -0.140900  -0.500000  0.032423  Uiso  1.000000
  O18d    O    -0.500000   0.140900   0.500000  0.032423  Uiso  1.000000
  O19a    O     0.024300   0.000000   0.354400  0.032423  Uiso  1.000000
  O19b    O     0.524300   0.000000  -0.354400  0.032423  Uiso  1.000000
  O19c    O    -0.024300   0.000000  -0.354400  0.032423  Uiso  1.000000
  O19d    O     0.475700   0.000000   0.354400  0.032423  Uiso  1.000000
  O20a    O     0.250000   0.348300   0.427300  0.032423  Uiso  1.000000
  O20b    O     0.750000  -0.348300  -0.427300  0.032423  Uiso  1.000000
  O20c    O    -0.250000   0.348300  -0.427300  0.032423  Uiso  1.000000
  O20d    O     0.250000  -0.348300   0.427300  0.032423  Uiso  1.000000
  O21a    O     0.178700   0.500000   0.434500  0.032423  Uiso  1.000000
  O21b    O     0.678700  -0.500000  -0.434500  0.032423  Uiso  1.000000
  O21c    O    -0.178700   0.500000  -0.434500  0.032423  Uiso  1.000000
  O21d    O     0.321300  -0.500000   0.434500  0.032423  Uiso  1.000000
  O22a    O     0.250000   0.307900   0.941300  0.032423  Uiso  1.000000
  O22b    O     0.750000  -0.307900  -0.941300  0.032423  Uiso  1.000000
  O22c    O    -0.250000   0.307900  -0.941300  0.032423  Uiso  1.000000
  O22d    O     0.250000  -0.307900   0.941300  0.032423  Uiso  1.000000
  O23a    O     0.250000   0.102500   0.912400  0.032423  Uiso  1.000000
  O23b    O     0.750000  -0.102500  -0.912400  0.032423  Uiso  1.000000
  O23c    O    -0.250000   0.102500  -0.912400  0.032423  Uiso  1.000000
  O23d    O     0.250000  -0.102500   0.912400  0.032423  Uiso  1.000000
  O24a    O     0.000000   0.160400   0.000000  0.032423  Uiso  1.000000
  O24b    O     0.500000  -0.160400   0.000000  0.032423  Uiso  1.000000
  O24c    O     0.000000  -0.160400   0.000000  0.032423  Uiso  1.000000
  O24d    O    -0.500000   0.160400   0.000000  0.032423  Uiso  1.000000
  O25a    O     0.057600   0.000000   0.933500  0.032423  Uiso  1.000000
  O25b    O     0.557600   0.000000  -0.933500  0.032423  Uiso  1.000000
  O25c    O    -0.057600   0.000000  -0.933500  0.032423  Uiso  1.000000
  O25d    O     0.442400   0.000000   0.933500  0.032423  Uiso  1.000000
  O26a    O     0.250000   0.500000   0.865000  0.032423  Uiso  1.000000
  O26b    O     0.750000  -0.500000  -0.865000  0.032423  Uiso  1.000000
  Wo1a    O-2   0.471500   0.487000   0.502000  0.025330  Uiso  0.250000
  Wo1b    O-2  -0.971500   0.487000   0.502000  0.025330  Uiso  0.250000


