data_[K4V2Cr4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  V  1.6300  1.3500  0.7775
  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 [6.0896]
_cell_length_b [10.5111]
_cell_length_c [7.6910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2V(CrS3)2]
_chemical_formula_sum '[K4 V2 Cr4 S12]'
_cell_volume [474.9649]
_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  4  0.0000  0.1666  0.0000  1.0
  V  V1  2  0.0000  0.0000  0.5000  1.0
  Cr  Cr2  4  0.0000  0.3320  0.5000  1.0
  S  S3  8  0.2268  0.1649  0.6767  1.0
  S  S4  4  0.2238  0.5000  0.6757  1.0
]