data_[K2Cr2Ni2S6]
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
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1448]
_cell_length_b [3.5408]
_cell_length_c [9.0630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1321]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCrNiS3]
_chemical_formula_sum '[K2 Cr2 Ni2 S6]'
_cell_volume [236.6260]
_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  0.2379  0.2500  0.2553  1.0
  Cr  Cr1  2  0.3103  0.7500  0.8362  1.0
  Ni  Ni2  2  0.0878  0.2500  0.6065  1.0
  S  S3  2  0.1236  0.2500  0.8611  1.0
  S  S4  2  0.2253  0.7500  0.5553  1.0
  S  S5  2  0.4754  0.7500  0.1312  1.0
]