data_CuBRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   148.29
_cell_angle_beta   132.04
_cell_angle_gamma   58.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBRh2
_chemical_formula_sum   'Cu1 B1 Rh2'
_cell_volume   46.92
_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  0.0  0.01  0.69  1.0
  B  B0  1  0.0  0.0  0.27  1.0
  Rh  Rh2  1  0.0  0.0  0.08  1.0
  Rh  Rh3  1  0.35  0.0  0.59  1.0

data_CuBRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.02
_cell_length_c   4.95
_cell_angle_alpha   113.98
_cell_angle_beta   105.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBRh2
_chemical_formula_sum   'Cu1 B1 Rh2'
_cell_volume   46.92
_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  0.99  0.68  0.68  1.0
  B  B1  1  0.0  0.27  0.27  1.0
  Rh  Rh2  1  0.0  0.08  0.08  1.0
  Rh  Rh3  1  0.0  0.59  0.24  1.0

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