data_ReRhAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   3.93
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRhAu2
_chemical_formula_sum   'Re1 Rh1 Au2'
_cell_volume   64.9
_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  0.42  0.97  0.06  1.0
  Rh  Rh3  1  0.0  0.0  0.2  1.0
  Au  Au0  1  0.42  0.97  0.8  1.0
  Au  Au1  1  0.0  0.0  0.49  1.0

data_ReRhAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   3.93
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRhAu2
_chemical_formula_sum   'Re1 Rh1 Au2'
_cell_volume   64.9
_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  0.42  0.97  0.06  1.0
  Rh  Rh1  1  0.0  0.0  0.2  1.0
  Au  Au2  1  0.0  0.0  0.49  1.0
  Au  Au3  1  0.42  0.97  0.8  1.0

Re Rh Au Au
Re Rh Au Au 0 1 o + o 0 2 o o - 1 3 o o o 