data_Cu2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   4.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   157.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Rh
_chemical_formula_sum   'Cu4 Rh2'
_cell_volume   77.1
_cell_formula_units_Z   2
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  Cu0  1  0.33  0.0  0.08  1.0
  Cu  Cu1  1  0.33  0.91  0.25  1.0
  Cu  Cu2  1  0.33  0.09  0.08  1.0
  Cu  Cu3  1  0.33  1.0  0.25  1.0
  Rh  Rh4  1  0.33  0.55  0.08  1.0
  Rh  Rh5  1  0.33  0.45  0.25  1.0

data_Cu2Rh
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.65
_cell_length_b   4.33
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   101.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cu2Rh
_chemical_formula_sum   'Cu4 Rh2'
_cell_volume   77.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Cu0  2  0.0  0.58  0.5  1.0
  Cu  Cu1  2  0.09  0.58  0.59  1.0
  Rh  Rh2  2  0.45  0.42  0.95  1.0

Cu Cu Cu Cu Rh Rh