data_Cu2BRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   2.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BRh
_chemical_formula_sum   'Cu2 B1 Rh1'
_cell_volume   46.84
_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  Cu1  1  0.14  0.86  0.38  1.0
  Cu  Cu2  1  0.14  0.14  0.38  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.28  0.0  0.0  1.0

data_Cu2BRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.36
_cell_length_c   4.36
_cell_angle_alpha   116.88
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BRh
_chemical_formula_sum   'Cu2 B1 Rh1'
_cell_volume   46.84
_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  0.38  0.14  0.14  1.0
  Cu  Cu1  1  0.38  0.14  0.86  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.28  0.0  1.0

Cu Cu B Rh
Cu Cu B Rh 0 1 o + o 0 3 o + o 1 2 o o o 2 3 o o o 