data_RTH

#**************************************************************************
#
# CIF taken from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker
# Database of Zeolite Structures: http://www.iza-structure.org/databases/ 
#
# The atom coordinates and the cell parameters were optimized with DLS76
# assuming a pure SiO2 composition.
#
#**************************************************************************

_cell_length_a                   9.7620(0)
_cell_length_b                  20.5300(0)
_cell_length_c                   9.9960(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                96.8970(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'C 2/m'
_symmetry_Int_Tables_number         12
_symmetry_cell_setting             monoclinic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'1/2+x,1/2+y,+z'
'-x,+y,-z'
'1/2-x,1/2+y,-z'
'-x,-y,-z'
'1/2-x,1/2-y,-z'
'+x,-y,+z'
'1/2+x,1/2-y,+z'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
    O1    O     0.1595    0.2940    0.3234
    O2    O     0.0000    0.3349    0.5000
    O3    O     0.9706    0.3830    0.2551
    O4    O     0.8967    0.2621    0.2959
    O5    O     0.2541    0.0915    0.0804
    O6    O     0.4379    0.0000    0.1501
    O7    O     0.5000    0.0984    0.0000
    O8    O     0.2949    0.3262    0.1211
    O9    O     0.1767    0.2113    0.1257
   O10    O     0.0000    0.1286    0.0000
    T1    Si    0.0066    0.3183    0.3436
    T2    Si    0.4157    0.0766    0.1214
    T3    Si    0.2571    0.2673    0.2165
    T4    Si    0.1589    0.1514    0.0212

