data_CuMo2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   3.99
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuMo2Rh
_chemical_formula_sum   'Cu1 Mo2 Rh1'
_cell_volume   57.34
_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  Cu0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.32  1.0  0.3  1.0
  Mo  Mo2  1  0.3  1.0  0.0  1.0
  Rh  Rh3  1  0.96  0.0  0.65  1.0

data_CuMo2Rh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.71
_cell_length_b   3.99
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CuMo2Rh
_chemical_formula_sum   'Cu1 Mo2 Rh1'
_cell_volume   57.34
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.3  0.0  0.0  1.0
  Mo  Mo2  1  0.32  0.0  0.3  1.0
  Rh  Rh3  1  0.96  0.0  0.65  1.0

Cu Mo Mo Rh
Cu Mo Mo Rh 0 2 o - o 0 1 o - o 0 3 - o - 1 2 o o o 1 3 - + o 2 3 - + - 