data_Re2PdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   2.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2PdAu
_chemical_formula_sum   'Re2 Pd1 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
  Re  Re2  1  0.35  0.12  0.36  1.0
  Re  Re3  1  0.35  0.88  0.36  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.71  0.0  0.0  1.0

data_Re2PdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   114.88
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2PdAu
_chemical_formula_sum   'Re2 Pd1 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
  Re  Re0  1  0.36  0.35  0.88  1.0
  Re  Re1  1  0.36  0.35  0.12  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.71  0.0  1.0

Re Re Pd Au
Re Re Pd Au 0 1 o - o 2 3 - o o 