data_HfZnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   4.6
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   102.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZnCd2
_chemical_formula_sum   'Hf1 Zn1 Cd2'
_cell_volume   79.47
_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
  Hf  Hf2  1  0.87  0.0  0.88  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.3  0.3  0.39  1.0
  Cd  Cd1  1  0.44  0.3  0.37  1.0

data_HfZnCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.6
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   102.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZnCd2
_chemical_formula_sum   'Hf1 Zn1 Cd2'
_cell_volume   79.47
_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
  Hf  Hf0  1  0.87  0.0  0.88  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.3  0.3  0.39  1.0
  Cd  Cd3  1  0.44  0.3  0.37  1.0

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