data_CdGeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   4.38
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGeBi2
_chemical_formula_sum   'Cd1 Ge1 Bi2'
_cell_volume   108.66
_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  Cd2  1  0.0  0.0  0.62  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.72  0.19  0.69  1.0
  Bi  Bi1  1  0.72  0.19  0.54  1.0

data_CdGeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.38
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGeBi2
_chemical_formula_sum   'Cd1 Ge1 Bi2'
_cell_volume   108.66
_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  0.62  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.72  0.19  0.54  1.0
  Bi  Bi3  1  0.72  0.19  0.69  1.0

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