data_[Cs8Cr4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [12.5982]
_cell_length_b [9.1468]
_cell_length_c [6.4120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cs2CrS3]
_chemical_formula_sum '[Cs8 Cr4 S12]'
_cell_volume [738.8769]
_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
[
  Cs  Cs0  8  0.1557  0.1632  0.7500  1.0
  Cr  Cr1  4  0.0000  0.4212  0.2500  1.0
  S  S2  8  0.1213  0.5000  0.0000  1.0
  S  S3  4  0.0000  0.1812  0.2500  1.0
]