data_Cu2BRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   4.69
_cell_angle_alpha   115.58
_cell_angle_beta   115.58
_cell_angle_gamma   39.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BRh
_chemical_formula_sum   'Cu2 B1 Rh1'
_cell_volume   45.69
_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  0.46  0.0  0.0  1.0
  Cu  Cu2  1  0.47  0.0  0.08  1.0
  B  B0  1  0.93  0.0  0.56  1.0
  Rh  Rh3  1  0.64  0.0  0.61  1.0

data_Cu2BRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.15
_cell_length_c   4.69
_cell_angle_alpha   115.58
_cell_angle_beta   90.0
_cell_angle_gamma   109.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BRh
_chemical_formula_sum   'Cu2 B1 Rh1'
_cell_volume   45.69
_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  0.53  0.92  1.0
  Cu  Cu1  1  0.0  0.54  1.0  1.0
  B  B2  1  0.0  0.07  0.44  1.0
  Rh  Rh3  1  0.0  0.36  0.39  1.0

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