data_[K2Cr4S8]
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/m]
_cell_length_a [15.6302]
_cell_length_b [3.4210]
_cell_length_c [5.6072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6119]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K(CrS2)2]
_chemical_formula_sum '[K2 Cr4 S8]'
_cell_volume [291.3978]
_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
[
  K  K0  2  0.0000  0.5000  0.5000  1.0
  Cr  Cr1  4  0.2476  0.0000  0.2046  1.0
  S  S2  4  0.1515  0.5000  0.0248  1.0
  S  S3  4  0.1725  0.0000  0.5373  1.0
]