data_Cd7Ge6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.55
_cell_length_b   10.55
_cell_length_c   10.55
_cell_angle_alpha   31.68
_cell_angle_beta   31.68
_cell_angle_gamma   31.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd7Ge6
_chemical_formula_sum   'Cd7 Ge6'
_cell_volume   287.94
_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  0.65  0.47  1.0
  Cd  Cd1  1  0.43  0.18  0.47  1.0
  Cd  Cd2  1  0.57  0.18  0.47  1.0
  Cd  Cd3  1  0.0  0.35  0.57  1.0
  Cd  Cd4  1  0.43  0.82  0.57  1.0
  Cd  Cd5  1  0.57  0.82  0.57  1.0
  Cd  Cd6  1  0.0  0.0  0.0  1.0
  Ge  Ge7  1  0.0  0.0  0.66  1.0
  Ge  Ge8  1  0.0  0.0  0.39  1.0
  Ge  Ge9  1  0.0  0.0  0.32  1.0
  Ge  Ge10  1  0.0  0.0  0.72  1.0
  Ge  Ge11  1  0.0  0.0  0.99  1.0
  Ge  Ge12  1  0.0  0.0  0.06  1.0

data_Cd7Ge6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   10.55
_cell_angle_alpha   74.16
_cell_angle_beta   74.16
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd7Ge6
_chemical_formula_sum   'Cd7 Ge6'
_cell_volume   287.94
_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
  Cd  Cd1  1  0.18  0.43  0.97  1.0
  Cd  Cd2  1  0.18  0.43  0.82  1.0
  Cd  Cd3  1  0.35  0.53  0.12  1.0
  Cd  Cd4  1  0.65  0.43  0.93  1.0
  Cd  Cd5  1  0.82  0.53  0.22  1.0
  Cd  Cd6  1  0.82  0.53  0.08  1.0
  Ge  Ge7  1  0.0  0.01  0.99  1.0
  Ge  Ge8  1  0.0  0.28  0.72  1.0
  Ge  Ge9  1  0.0  0.34  0.66  1.0
  Ge  Ge10  1  0.0  0.61  0.39  1.0
  Ge  Ge11  1  0.0  0.68  0.32  1.0
  Ge  Ge12  1  0.0  0.94  0.06  1.0

Cd Cd Cd Cd Cd Cd Cd Ge Ge Ge Ge Ge Ge