data_Hf2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   4.5
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Zn
_chemical_formula_sum   'Hf8 Zn4'
_cell_volume   235.06
_cell_formula_units_Z   4
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  0.39  0.12  0.88  1.0
  Hf  Hf1  1  0.92  0.12  0.98  1.0
  Hf  Hf2  1  0.01  0.37  0.53  1.0
  Hf  Hf3  1  0.54  0.37  0.34  1.0
  Hf  Hf4  1  0.32  0.12  0.57  1.0
  Hf  Hf5  1  0.86  0.12  0.39  1.0
  Hf  Hf6  1  0.94  0.37  0.93  1.0
  Hf  Hf7  1  0.47  0.37  0.03  1.0
  Zn  Zn8  1  0.08  0.12  0.85  1.0
  Zn  Zn9  1  0.85  0.37  0.39  1.0
  Zn  Zn10  1  0.02  0.12  0.52  1.0
  Zn  Zn11  1  0.78  0.37  0.07  1.0

data_Hf2Zn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.5
_cell_length_b   5.87
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Hf2Zn
_chemical_formula_sum   'Hf8 Zn4'
_cell_volume   235.06
_cell_formula_units_Z   4
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
  Hf  Hf0  2  0.38  0.39  0.62  1.0
  Hf  Hf1  2  0.38  0.46  0.93  1.0
  Hf  Hf2  2  0.38  0.92  0.43  1.0
  Hf  Hf3  2  0.38  0.99  0.03  1.0
  Zn  Zn4  2  0.38  0.08  0.57  1.0
  Zn  Zn5  2  0.38  0.15  0.89  1.0

Hf Hf Hf Hf Hf Hf Hf Hf Zn Zn Zn Zn