data_CLO

#**************************************************************************
#
# 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                  25.8400(0)
_cell_length_b                  25.8400(0)
_cell_length_c                  25.8400(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                90.0000(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'P m 3 m'
_symmetry_Int_Tables_number         221
_symmetry_cell_setting             cubic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'+z,+x,+y'
'+y,+z,+x'
'+x,+y,-z'
'+z,+x,-y'
'+y,+z,-x'
'-x,+y,+z'
'-z,+x,+y'
'-y,+z,+x'
'-x,+y,-z'
'-z,+x,-y'
'-y,+z,-x'
'+y,+x,+z'
'+x,+z,+y'
'+z,+y,+x'
'+y,+x,-z'
'+x,+z,-y'
'+z,+y,-x'
'+y,-x,+z'
'+x,-z,+y'
'+z,-y,+x'
'+y,-x,-z'
'+x,-z,-y'
'+z,-y,-x'
'-x,-y,-z'
'-z,-x,-y'
'-y,-z,-x'
'-x,-y,+z'
'-z,-x,+y'
'-y,-z,+x'
'+x,-y,-z'
'+z,-x,-y'
'+y,-z,-x'
'+x,-y,+z'
'+z,-x,+y'
'+y,-z,+x'
'-y,-x,-z'
'-x,-z,-y'
'-z,-y,-x'
'-y,-x,+z'
'-x,-z,+y'
'-z,-y,+x'
'-y,+x,-z'
'-x,+z,-y'
'-z,+y,-x'
'-y,+x,+z'
'-x,+z,+y'
'-z,+y,+x'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
    O1    O     0.1692    0.7355    0.5000
    O2    O     0.2251    0.7749    0.4246
    O3    O     0.2151    0.6740    0.4330
    O4    O     0.1359    0.7311    0.4040
    O5    O     0.3155    0.6845    0.5793
    O6    O     0.2716    0.5937    0.5937
    O7    O     0.2792    0.6322    0.5000
    O8    O     0.1012    0.6609    0.6609
    O9    O     0.0509    0.7487    0.6491
   O10    O     0.0509    0.6797    0.5744
   O11    O     0.0000    0.5937    0.4063
   O12    O     0.0000    0.6325    0.5000
   O13    O     0.0000    0.7363    0.7363
   O14    O     0.0000    0.6898    0.8268
    T1    Si    0.1863    0.7288    0.4405
    T2    Si    0.2703    0.6461    0.5601
    T3    Si    0.0847    0.7051    0.6202
    T4    Si    0.0000    0.6465    0.4393
    T5    Si    0.0000    0.6811    0.7651

