data_Rh3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   117.03
_cell_angle_beta   117.03
_cell_angle_gamma   117.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rh3Au
_chemical_formula_sum   'Rh3 Au1'
_cell_volume   61.66
_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
  Rh  Rh1  1  0.78  0.72  0.91  1.0
  Rh  Rh2  1  0.22  0.72  0.91  1.0
  Rh  Rh3  1  0.0  0.56  0.91  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Rh3Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   117.03
_cell_angle_beta   100.03
_cell_angle_gamma   100.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rh3Au
_chemical_formula_sum   'Rh3 Au1'
_cell_volume   61.66
_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
  Rh  Rh0  1  0.91  0.12  0.19  1.0
  Rh  Rh1  1  0.91  0.69  0.19  1.0
  Rh  Rh2  1  0.91  0.91  0.35  1.0
  Au  Au3  1  0.0  0.0  0.0  1.0

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