data_[K8Cr4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.7737]
_cell_length_b [8.2442]
_cell_length_c [6.5145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8567]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2CrS3]
_chemical_formula_sum '[K8 Cr4 S12]'
_cell_volume [626.3865]
_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
[
  K  K0  8  0.1584  0.3424  0.1946  1.0
  Cr  Cr1  4  0.0000  0.0775  0.7500  1.0
  S  S2  8  0.1272  0.0420  0.4902  1.0
  S  S3  4  0.0000  0.3422  0.7500  1.0
]