data_[Ce16Ge4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2322]
_cell_length_b [14.1701]
_cell_length_c [6.0645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce4GeBi]
_chemical_formula_sum '[Ce16 Ge4 Bi4]'
_cell_volume [658.6502]
_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  8  0.0738  0.1851  0.0789  1
  Ce  Ce1  8  0.1862  0.4140  0.3459  1
  Ge  Ge2  4  0.0000  0.0085  0.7500  1
  Bi  Bi3  4  0.0000  0.3763  0.7500  1
]