data_CdGa2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   4.2
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGa2Bi
_chemical_formula_sum   'Cd1 Ga2 Bi1'
_cell_volume   95.33
_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
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.68  0.1  0.51  1.0
  Ga  Ga3  1  0.68  0.1  0.25  1.0
  Bi  Bi0  1  0.0  0.0  0.38  1.0

data_CdGa2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.2
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGa2Bi
_chemical_formula_sum   'Cd1 Ga2 Bi1'
_cell_volume   95.33
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.68  0.1  0.25  1.0
  Ga  Ga2  1  0.68  0.1  0.51  1.0
  Bi  Bi3  1  0.0  0.0  0.38  1.0

Cd Ga Ga Bi
Cd Ga Ga Bi 0 2 - o o 1 3 + o o 1 2 o o o 2 3 + o o 