data_[Cd8S6O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.1241]
_cell_length_b [7.0392]
_cell_length_c [6.5926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Cd4S3O]
_chemical_formula_sum '[Cd8 S6 O2]'
_cell_volume [377.0127]
_cell_formula_units_Z [2]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Cd  Cd0  4  0.2294  0.3219  0.1125  1.0
  Cd  Cd1  2  0.0000  0.1767  0.6632  1.0
  Cd  Cd2  2  0.0000  0.8715  0.1151  1.0
  S  S3  4  0.2470  0.6709  0.0019  1.0
  S  S4  2  0.0000  0.8444  0.5044  1.0
  O  O5  2  0.0000  0.1732  0.0038  1.0
]