data_CuRhAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   129.32
_cell_angle_beta   129.32
_cell_angle_gamma   74.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRhAu2
_chemical_formula_sum   'Cu1 Rh1 Au2'
_cell_volume   63.09
_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
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.79  1.0
  Au  Au0  1  0.0  0.04  0.9  1.0
  Au  Au1  1  0.04  0.0  0.9  1.0

data_CuRhAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   127.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuRhAu2
_chemical_formula_sum   'Cu2 Rh2 Au4'
_cell_volume   126.17
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cu  Cu0  2  0.0  0.0  0.0  1.0
  Rh  Rh1  2  0.21  0.0  0.21  1.0
  Au  Au2  4  0.12  0.02  0.14  1.0

Cu Rh Au Au