data_[Fe8Bi4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.5552]
_cell_length_b [6.5552]
_cell_length_c [6.5552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [221]
_chemical_formula_structural [Fe2BiPb]
_chemical_formula_sum '[Fe8 Bi4 Pb4]'
_cell_volume [281.6860]
_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
[
  Fe  Fe0  8  0.2518  0.2518  0.2518  1
  Bi  Bi1  3  0.0000  0.0000  0.5000  1
  Bi  Bi2  1  0.0000  0.0000  0.0000  1
  Pb  Pb3  3  0.0000  0.5000  0.5000  1
  Pb  Pb4  1  0.5000  0.5000  0.5000  1
]