data_[K2Ce2Ni2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ce  1.1200  1.8500  1.0800
  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 [6.7786]
_cell_length_b [5.6066]
_cell_length_c [9.0014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCeNiS4]
_chemical_formula_sum '[K2 Ce2 Ni2 S8]'
_cell_volume [329.3320]
_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  0.2622  0.7500  0.0513  1.0
  Ce  Ce1  2  0.2648  0.7500  0.5554  1.0
  Ni  Ni2  2  0.2314  0.2500  0.3215  1.0
  S  S3  4  0.0124  0.0132  0.7113  1.0
  S  S4  2  0.4015  0.2500  0.5676  1.0
  S  S5  2  0.4449  0.2500  0.1768  1.0
]