data_FePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.68
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePb
_chemical_formula_sum   'Fe2 Pb2'
_cell_volume   68.95
_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
  Fe  Fe0  1  0.26  0.34  0.61  1.0
  Fe  Fe1  1  0.0  0.0  0.65  1.0
  Pb  Pb2  1  0.26  0.0  0.05  1.0
  Pb  Pb3  1  0.0  0.34  0.2  1.0

data_FePb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.25
_cell_length_b   4.52
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   FePb
_chemical_formula_sum   'Fe2 Pb2'
_cell_volume   68.95
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.48  0.13  0.17  1.0
  Pb  Pb1  2  0.08  0.87  0.17  1.0

Fe Fe Pb Pb
Fe Fe Pb Pb 0 1 o o o 0 3 o o o 0 2 o o + 1 3 o o o 1 2 o o + 2 3 o o o 