data_RePd2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   150.85
_cell_angle_beta   128.05
_cell_angle_gamma   60.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePd2Au
_chemical_formula_sum   'Re1 Pd2 Au1'
_cell_volume   64.87
_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  Re3  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.4  0.0  0.27  1.0
  Pd  Pd2  1  0.0  0.43  0.51  1.0
  Au  Au0  1  0.0  0.0  0.79  1.0

data_RePd2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.86
_cell_length_c   5.55
_cell_angle_alpha   115.98
_cell_angle_beta   104.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePd2Au
_chemical_formula_sum   'Re1 Pd2 Au1'
_cell_volume   64.87
_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  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.12  0.73  0.12  1.0
  Pd  Pd2  1  0.49  0.92  0.92  1.0
  Au  Au3  1  0.21  0.21  0.21  1.0

Re Pd Pd Au