data_FePd2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   2.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePd2Pt
_chemical_formula_sum   'Fe1 Pd2 Pt1'
_cell_volume   59.57
_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  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.38  0.95  0.38  1.0
  Pd  Pd2  1  0.38  0.05  0.38  1.0
  Pt  Pt3  1  0.76  0.0  0.0  1.0

data_FePd2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   109.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePd2Pt
_chemical_formula_sum   'Fe1 Pd2 Pt1'
_cell_volume   59.57
_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  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.38  0.38  0.95  1.0
  Pd  Pd2  1  0.38  0.38  0.05  1.0
  Pt  Pt3  1  -0.0  0.76  0.0  1.0

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