data_[K2Cr2Cu2S6]
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
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1465]
_cell_length_b [3.6069]
_cell_length_c [9.1207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCrCuS3]
_chemical_formula_sum '[K2 Cr2 Cu2 S6]'
_cell_volume [245.4994]
_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  0.2339  0.7500  0.2555  1.0
  Cr  Cr1  2  0.3178  0.2500  0.8469  1.0
  Cu  Cu2  2  0.0822  0.7500  0.6072  1.0
  S  S3  2  0.1281  0.7500  0.8658  1.0
  S  S4  2  0.2313  0.2500  0.5605  1.0
  S  S5  2  0.4754  0.2500  0.1323  1.0
]