data_[K2Ni2Sb2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0463]
_cell_length_b [3.9268]
_cell_length_c [9.0713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4472]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KNiSbS3]
_chemical_formula_sum '[K2 Ni2 Sb2 S6]'
_cell_volume [316.8938]
_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  0.2059  0.2500  0.1522  1.0
  Ni  Ni1  2  0.4213  0.7500  0.9220  1.0
  Sb  Sb2  2  0.1517  0.2500  0.6432  1.0
  S  S3  2  0.1257  0.7500  0.4070  1.0
  S  S4  2  0.1642  0.7500  0.8482  1.0
  S  S5  2  0.4924  0.2500  0.8349  1.0
]