data_ReRh2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.84
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRh2Au
_chemical_formula_sum   'Re1 Rh2 Au1'
_cell_volume   60.74
_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  Re1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.39  0.92  0.32  1.0
  Rh  Rh3  1  0.39  0.92  0.36  1.0
  Au  Au0  1  0.0  0.0  0.84  1.0

data_ReRh2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.84
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRh2Au
_chemical_formula_sum   'Re1 Rh2 Au1'
_cell_volume   60.74
_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
  Rh  Rh1  1  0.39  0.92  0.32  1.0
  Rh  Rh2  1  0.39  0.92  0.36  1.0
  Au  Au3  1  0.0  0.0  0.84  1.0

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