data_Cu2MoRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   3.99
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2MoRh
_chemical_formula_sum   'Cu2 Mo1 Rh1'
_cell_volume   54.15
_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  0.29  0.99  0.78  1.0
  Cu  Cu1  1  0.33  0.99  0.26  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.96  0.0  0.52  1.0

data_Cu2MoRh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.69
_cell_length_b   3.99
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cu2MoRh
_chemical_formula_sum   'Cu2 Mo1 Rh1'
_cell_volume   54.15
_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  0.29  0.0  0.78  1.0
  Cu  Cu1  1  0.33  0.0  0.26  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.96  0.0  0.52  1.0

Cu Cu Mo Rh