data_CuReRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.64
_cell_angle_alpha   99.54
_cell_angle_beta   99.54
_cell_angle_gamma   33.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuReRh2
_chemical_formula_sum   'Cu1 Re1 Rh2'
_cell_volume   55.97
_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  0.09  0.0  0.32  1.0
  Re  Re1  1  0.53  0.0  0.09  1.0
  Rh  Rh2  1  0.99  0.0  0.1  1.0
  Rh  Rh3  1  0.68  0.0  0.34  1.0

data_CuReRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.64
_cell_length_c   4.7
_cell_angle_alpha   99.54
_cell_angle_beta   106.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuReRh2
_chemical_formula_sum   'Cu1 Re1 Rh2'
_cell_volume   55.97
_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
  Re  Re0  1  0.0  0.09  0.53  1.0
  Cu  Cu1  1  0.0  0.32  0.09  1.0
  Rh  Rh2  1  0.0  0.1  0.99  1.0
  Rh  Rh3  1  0.0  0.34  0.68  1.0

Cu Re Rh Rh
Cu Re Rh Rh 0 2 - o o 1 3 o o o 