data_FePt2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   4.52
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   91.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePt2Pb
_chemical_formula_sum   'Fe1 Pt2 Pb1'
_cell_volume   71.91
_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  Fe0  1  0.11  0.0  0.01  1.0
  Pt  Pt2  1  0.5  0.0  0.03  1.0
  Pt  Pt3  1  0.66  0.26  0.64  1.0
  Pb  Pb1  1  0.06  0.26  0.12  1.0

data_FePt2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.52
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   91.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePt2Pb
_chemical_formula_sum   'Fe1 Pt2 Pb1'
_cell_volume   71.91
_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  Fe0  1  0.11  0.0  0.01  1.0
  Pt  Pt1  1  0.5  0.0  0.03  1.0
  Pt  Pt2  1  0.66  0.26  0.64  1.0
  Pb  Pb3  1  0.06  0.26  0.12  1.0

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