data_ZnCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   144.97
_cell_angle_beta   131.64
_cell_angle_gamma   61.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd
_chemical_formula_sum   'Zn2 Cd2'
_cell_volume   76.74
_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  0.7  0.16  0.6  1.0
  Zn  Zn3  1  0.0  0.16  0.27  1.0
  Cd  Cd0  1  0.7  0.16  0.79  1.0
  Cd  Cd1  1  0.0  0.16  0.08  1.0

data_ZnCd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.4
_cell_length_b   4.63
_cell_length_c   5.65
_cell_angle_alpha   114.18
_cell_angle_beta   107.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnCd
_chemical_formula_sum   'Zn2 Cd2'
_cell_volume   76.74
_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  0.5  0.16  0.31  1.0
  Cd  Cd1  2  0.5  0.36  0.5  1.0

Zn Zn Cd Cd
Zn Zn Cd Cd 0 2 o o o 1 3 o o o 