data_ZnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   4.49
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2
_chemical_formula_sum   'Zn4 Cd8'
_cell_volume   245.45
_cell_formula_units_Z   4
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
  Zn  Zn8  1  0.16  0.12  0.88  1.0
  Zn  Zn9  1  0.89  0.37  0.4  1.0
  Zn  Zn10  1  0.21  0.12  0.56  1.0
  Zn  Zn11  1  0.94  0.37  0.08  1.0
  Cd  Cd0  1  0.45  0.12  0.88  1.0
  Cd  Cd1  1  0.02  0.12  0.98  1.0
  Cd  Cd2  1  0.03  0.37  0.5  1.0
  Cd  Cd3  1  0.6  0.37  0.36  1.0
  Cd  Cd4  1  0.5  0.12  0.6  1.0
  Cd  Cd5  1  0.07  0.12  0.46  1.0
  Cd  Cd6  1  0.08  0.37  0.98  1.0
  Cd  Cd7  1  0.65  0.37  0.08  1.0

data_ZnCd2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.49
_cell_length_b   6.1
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnCd2
_chemical_formula_sum   'Zn4 Cd8'
_cell_volume   245.45
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Zn  Zn0  2  0.38  0.61  0.9  1.0
  Zn  Zn1  2  0.38  0.66  0.58  1.0
  Cd  Cd2  2  0.38  0.47  1.0  1.0
  Cd  Cd3  2  0.38  0.52  0.48  1.0
  Cd  Cd4  2  0.38  0.9  0.9  1.0
  Cd  Cd5  2  0.38  0.95  0.62  1.0

Zn Zn Zn Zn Cd Cd Cd Cd Cd Cd Cd Cd
Zn Zn Zn Zn Cd Cd Cd Cd Cd Cd Cd Cd 0 5 o o o 0 4 o o o 1 6 + o o 1 7 o o o 2 9 o o o 2 8 o o o 3 10 + o - 3 11 o o o 5 10 o o o 6 9 o o o 