data_[Fe4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.3323]
_cell_length_b [3.4726]
_cell_length_c [9.7631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [FePb2]
_chemical_formula_sum '[Fe4 Pb8]'
_cell_volume [282.4979]
_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  4  0.2303  0.7500  0.3073  1
  Pb  Pb1  4  0.0008  0.7500  0.8116  1
  Pb  Pb2  4  0.1763  0.2500  0.5316  1
]