data_ZnCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   5.35
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd3
_chemical_formula_sum   'Zn1 Cd3'
_cell_volume   82.96
_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
  Zn  Zn3  1  0.0  0.0  0.71  1.0
  Cd  Cd0  1  0.0  0.67  0.03  1.0
  Cd  Cd1  1  0.51  0.67  0.55  1.0
  Cd  Cd2  1  0.51  0.0  0.26  1.0

data_ZnCd3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.13
_cell_length_b   3.03
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZnCd3
_chemical_formula_sum   'Zn1 Cd3'
_cell_volume   82.96
_cell_formula_units_Z   1
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  1  0.29  0.0  0.0  1.0
  Cd  Cd1  1  0.45  0.5  0.33  1.0
  Cd  Cd2  1  0.74  0.5  0.0  1.0
  Cd  Cd3  1  0.97  0.0  0.33  1.0

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