data_[Ce12Th2Bi10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Th  1.3000  1.8000  1.0800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8899]
_cell_length_b [13.9179]
_cell_length_c [7.9198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2165]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6ThBi5]
_chemical_formula_sum '[Ce12 Th2 Bi10]'
_cell_volume [816.1004]
_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  8  0.2462  0.1656  0.2460  1
  Ce  Ce1  4  0.2461  0.0000  0.7495  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  Bi  Bi3  4  0.0000  0.1708  0.5000  1
  Bi  Bi4  4  0.0000  0.3347  0.0000  1
  Bi  Bi5  2  0.0000  0.5000  0.5000  1
]