data_[La16Bi8Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.8830]
_cell_length_b [9.8830]
_cell_length_c [9.9120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [La4Bi2Pb]
_chemical_formula_sum '[La16 Bi8 Pb4]'
_cell_volume [968.1406]
_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  16  0.0701  0.1790  0.3027  1.0
  Bi  Bi1  8  0.1242  0.2500  0.6250  1.0
  Pb  Pb2  4  0.0000  0.0000  0.0000  1.0
]