data_[Ce12Ge2Bi4]
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 [Amm2]
_cell_length_a [4.3466]
_cell_length_b [14.7317]
_cell_length_c [8.7845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ce6GeBi2]
_chemical_formula_sum '[Ce12 Ge2 Bi4]'
_cell_volume [562.5018]
_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  4  0.0000  0.0949  0.1408  1.0
  Ce  Ce1  4  0.5000  0.1953  0.7955  1.0
  Ce  Ce2  2  0.0000  0.0000  0.7062  1.0
  Ce  Ce3  2  0.5000  0.0000  0.4668  1.0
  Ge  Ge4  2  0.5000  0.0000  0.9513  1.0
  Bi  Bi5  4  0.0000  0.1868  0.5015  1.0
]