data_Cu2BiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   134.03
_cell_angle_beta   134.03
_cell_angle_gamma   67.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BiRh
_chemical_formula_sum   'Cu2 Bi1 Rh1'
_cell_volume   64.72
_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  0.96  0.1  1.0
  Cu  Cu2  1  0.96  0.0  0.1  1.0
  Bi  Bi0  1  0.0  0.0  0.19  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_Cu2BiRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   123.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2BiRh
_chemical_formula_sum   'Cu4 Bi2 Rh2'
_cell_volume   129.44
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.02  0.02  0.13  1.0
  Bi  Bi1  2  0.0  0.0  0.19  1.0
  Rh  Rh2  2  0.0  0.0  0.0  1.0

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