data_Zn3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   133.25
_cell_angle_beta   133.25
_cell_angle_gamma   68.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Cd
_chemical_formula_sum   'Zn3 Cd1'
_cell_volume   62.0
_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  Zn1  1  0.95  0.0  0.04  1.0
  Zn  Zn2  1  0.0  0.95  0.04  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.07  1.0

data_Zn3Cd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   124.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn3Cd
_chemical_formula_sum   'Zn6 Cd2'
_cell_volume   124.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.44  0.48  0.92  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Cd  Cd2  2  0.43  0.5  0.93  1.0

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