data_FePb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   3.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePb2Au
_chemical_formula_sum   'Fe1 Pb2 Au1'
_cell_volume   89.78
_cell_formula_units_Z   1
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  Fe1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.8  0.85  0.69  1.0
  Pb  Pb3  1  0.8  0.15  0.69  1.0
  Au  Au0  1  0.6  0.0  0.0  1.0

data_FePb2Au
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.37
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   FePb2Au
_chemical_formula_sum   'Fe1 Pb2 Au1'
_cell_volume   89.82
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Pb  Pb1  2  0.69  0.15  0.8  1.0
  Au  Au2  1  0.0  0.0  0.6  1.0

Fe Pb Pb Au