data_[Cr8Cd4Se4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [7.3903]
_cell_length_b [7.4102]
_cell_length_c [10.4697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Cr2CdSeS3]
_chemical_formula_sum '[Cr8 Cd4 Se4 S12]'
_cell_volume [573.3595]
_cell_formula_units_Z [4]
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
[
  Cr  Cr0  4  0.0000  0.2419  0.6255  1.0
  Cr  Cr1  4  0.2494  0.0000  0.3795  1.0
  Cd  Cd2  2  0.0000  0.0000  0.9852  1.0
  Cd  Cd3  2  0.0000  0.5000  0.2534  1.0
  Se  Se4  4  0.2231  0.5000  0.6385  1.0
  S  S5  4  0.0000  0.2153  0.3939  1.0
  S  S6  4  0.0000  0.2862  0.8570  1.0
  S  S7  4  0.2200  0.0000  0.6112  1.0
]