data_[La4Cd4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cd  1.6900  1.5500  1.0900
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [14.5291]
_cell_length_b [6.4815]
_cell_length_c [6.5778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [LaCdBi3]
_chemical_formula_sum '[La4 Cd4 Bi12]'
_cell_volume [619.4360]
_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
[
  La  La0  4  0.3144  0.0091  0.7500  1.0
  Cd  Cd1  4  0.1174  0.2500  0.0000  1.0
  Bi  Bi2  4  0.0795  0.6784  0.2500  1.0
  Bi  Bi3  4  0.2661  0.5167  0.7500  1.0
  Bi  Bi4  4  0.4997  0.7500  0.0000  1.0
]