data_CuMoRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   8.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuMoRh2
_chemical_formula_sum   'Cu1 Mo1 Rh2'
_cell_volume   57.74
_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
  Cu  Cu0  1  0.0  0.0  0.32  1.0
  Mo  Mo1  1  0.55  0.0  0.17  1.0
  Rh  Rh2  1  0.0  0.0  0.03  1.0
  Rh  Rh3  1  0.55  0.0  0.39  1.0

data_CuMoRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   8.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuMoRh2
_chemical_formula_sum   'Cu1 Mo1 Rh2'
_cell_volume   57.74
_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
  Cu  Cu0  1  0.0  0.0  0.32  1.0
  Mo  Mo1  1  0.55  0.0  0.17  1.0
  Rh  Rh2  1  0.0  0.0  0.03  1.0
  Rh  Rh3  1  0.55  0.0  0.39  1.0

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