data_[Ce2Ni2Bi2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6674]
_cell_length_b [5.6925]
_cell_length_c [7.9725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2160]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeNiBiS4]
_chemical_formula_sum '[Ce2 Ni2 Bi2 S8]'
_cell_volume [290.5488]
_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
[
  Ce  Ce0  2  0.2565  0.7500  0.5563  1.0
  Ni  Ni1  2  0.2306  0.2500  0.3396  1.0
  Bi  Bi2  2  0.2849  0.7500  0.0450  1.0
  S  S3  4  0.0128  0.0067  0.7457  1.0
  S  S4  2  0.4145  0.2500  0.1250  1.0
  S  S5  2  0.4258  0.2500  0.6084  1.0
]