data_[La6Ce2Bi8]
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 [Cmmm]
_cell_length_a [9.2166]
_cell_length_b [12.9488]
_cell_length_c [4.5916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La3CeBi4]
_chemical_formula_sum '[La6 Ce2 Bi8]'
_cell_volume [547.9737]
_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  0.2500  0.2500  0.0000  1.0
  La  La1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi3  4  0.0000  0.2474  0.5000  1.0
  Bi  Bi4  4  0.2455  0.0000  0.0000  1.0
]