data_ZnCd2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   2.91
_cell_angle_alpha   100.52
_cell_angle_beta   100.52
_cell_angle_gamma   114.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2Cu
_chemical_formula_sum   'Zn1 Cd2 Cu1'
_cell_volume   71.08
_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  0.88  0.0  0.0  1.0
  Cd  Cd0  1  0.95  0.25  0.37  1.0
  Cd  Cd1  1  0.95  0.75  0.37  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0

data_ZnCd2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   114.87
_cell_angle_beta   100.52
_cell_angle_gamma   100.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2Cu
_chemical_formula_sum   'Zn1 Cd2 Cu1'
_cell_volume   71.08
_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  Zn0  1  -0.0  0.88  0.0  1.0
  Cd  Cd1  1  0.37  0.95  0.75  1.0
  Cd  Cd2  1  0.37  0.95  0.25  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Zn Cd Cd Cu