data_[Ce4Cu4Bi8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0667]
_cell_length_b [19.3034]
_cell_length_c [11.9422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CeCuBi2S5]
_chemical_formula_sum '[Ce4 Cu4 Bi8 S20]'
_cell_volume [937.4718]
_cell_formula_units_Z [4]
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  4  0.0000  0.2031  0.0106  1
  Cu  Cu1  4  0.0000  0.4292  0.4597  1
  Bi  Bi2  4  0.0000  0.0805  0.2723  1
  Bi  Bi3  4  0.0000  0.1498  0.6749  1
  S  S4  4  0.0000  0.0588  0.0548  1
  S  S5  4  0.0000  0.2860  0.6752  1
  S  S6  4  0.0000  0.3238  0.3594  1
  S  S7  4  0.0000  0.3505  0.0222  1
  S  S8  4  0.0000  0.4936  0.2949  1
]