data_Fe2PtPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2PtPb
_chemical_formula_sum   'Fe2 Pt1 Pb1'
_cell_volume   67.65
_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  0.49  0.49  0.67  1.0
  Fe  Fe1  1  0.49  0.49  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.83  1.0

data_Fe2PtPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2PtPb
_chemical_formula_sum   'Fe4 Pt2 Pb2'
_cell_volume   135.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.49  0.0  0.0  1.0
  Fe  Fe1  2  0.49  0.0  0.67  1.0
  Pt  Pt2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  0.0  0.0  0.83  1.0

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