data_CuBiRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   4.55
_cell_angle_alpha   105.72
_cell_angle_beta   105.72
_cell_angle_gamma   37.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBiRh2
_chemical_formula_sum   'Cu1 Bi1 Rh2'
_cell_volume   66.87
_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  0.85  0.0  0.79  1.0
  Bi  Bi0  1  0.03  0.0  0.39  1.0
  Rh  Rh2  1  0.01  0.0  0.3  1.0
  Rh  Rh3  1  0.42  0.0  0.06  1.0

data_CuBiRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.55
_cell_length_c   5.02
_cell_angle_alpha   105.72
_cell_angle_beta   108.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBiRh2
_chemical_formula_sum   'Cu1 Bi1 Rh2'
_cell_volume   66.87
_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  0.79  0.85  1.0
  Bi  Bi1  1  0.0  0.39  0.03  1.0
  Rh  Rh2  1  0.0  0.06  0.42  1.0
  Rh  Rh3  1  0.0  0.3  0.01  1.0

Cu Bi Rh Rh
Cu Bi Rh Rh 0 3 o o + 0 3 + o + 0 2 + o o 0 2 + o + 0 1 + o o 0 1 + o + 1 2 o o o 1 3 o o + 1 3 o o o 1 3 - o o 2 3 o o o 2 3 - o o 3 3 + - o 