data_Cd2GeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.68
_cell_angle_alpha   99.81
_cell_angle_beta   99.81
_cell_angle_gamma   34.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GeBi
_chemical_formula_sum   'Cd2 Ge1 Bi1'
_cell_volume   99.3
_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  0.98  0.0  0.32  1.0
  Cd  Cd2  1  0.7  0.0  0.27  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.84  0.0  0.79  1.0

data_Cd2GeBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   5.6
_cell_length_c   5.68
_cell_angle_alpha   99.81
_cell_angle_beta   90.0
_cell_angle_gamma   107.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GeBi
_chemical_formula_sum   'Cd2 Ge1 Bi1'
_cell_volume   99.3
_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  0.02  0.68  1.0
  Cd  Cd1  1  0.0  0.3  0.73  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.16  0.21  1.0

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