data_ZnCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   5.31
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd
_chemical_formula_sum   'Zn2 Cd2'
_cell_volume   76.56
_cell_formula_units_Z   2
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  Zn2  1  0.47  0.65  0.48  1.0
  Zn  Zn3  1  0.0  0.0  0.44  1.0
  Cd  Cd0  1  0.47  0.0  0.94  1.0
  Cd  Cd1  1  0.0  0.65  0.98  1.0

data_ZnCd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.93
_cell_length_b   4.92
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnCd
_chemical_formula_sum   'Zn2 Cd2'
_cell_volume   76.56
_cell_formula_units_Z   2
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  0.27  0.48  0.17  1.0
  Cd  Cd1  2  0.27  0.02  0.83  1.0

Zn Zn Cd Cd
Zn Zn Cd Cd 0 1 o + o 0 1 + + o 0 3 o o - 0 3 o o o 0 3 + o - 0 3 + o o 0 0 + o o 0 2 o + o 1 2 - o - 1 2 - o o 1 2 o o - 1 2 o o o 1 1 + o o 1 3 o - - 2 3 o - o 2 3 + - o 2 2 + o o 3 3 + o o 