data_[La4Ce4Bi6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0521]
_cell_length_b [4.6273]
_cell_length_c [7.8346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Ce2Bi3]
_chemical_formula_sum '[La4 Ce4 Bi6]'
_cell_volume [537.7047]
_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
[
  La  La0  4  0.1234  0.5000  0.8607  1
  Ce  Ce1  4  0.1196  0.0000  0.3827  1
  Bi  Bi2  4  0.2410  0.5000  0.2541  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
]