data_FePd2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   2.76
_cell_angle_alpha   100.44
_cell_angle_beta   100.44
_cell_angle_gamma   116.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePd2Au
_chemical_formula_sum   'Fe1 Pd2 Au1'
_cell_volume   62.55
_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
  Pd  Pd2  1  0.89  0.21  0.29  1.0
  Pd  Pd3  1  0.89  0.79  0.29  1.0
  Au  Au0  1  0.74  0.0  0.0  1.0

data_FePd2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   116.43
_cell_angle_beta   100.44
_cell_angle_gamma   100.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePd2Au
_chemical_formula_sum   'Fe1 Pd2 Au1'
_cell_volume   62.55
_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  0.29  0.89  0.21  1.0
  Pd  Pd2  1  0.29  0.89  0.79  1.0
  Au  Au3  1  -0.0  0.74  0.0  1.0

Fe Pd Pd Au