data_Hf2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   7.59
_cell_angle_alpha   111.04
_cell_angle_beta   111.04
_cell_angle_gamma   32.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Zn
_chemical_formula_sum   'Hf4 Zn2'
_cell_volume   119.0
_cell_formula_units_Z   2
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  0.01  0.0  0.15  1.0
  Hf  Hf1  1  0.87  0.0  0.56  1.0
  Hf  Hf2  1  1.0  0.0  0.48  1.0
  Hf  Hf3  1  0.87  0.0  0.89  1.0
  Zn  Zn4  1  0.06  0.0  0.51  1.0
  Zn  Zn5  1  0.81  0.0  0.53  1.0

data_Hf2Zn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.16
_cell_length_b   5.58
_cell_length_c   7.59
_cell_angle_alpha   111.04
_cell_angle_beta   90.0
_cell_angle_gamma   106.41
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Hf2Zn
_chemical_formula_sum   'Hf4 Zn2'
_cell_volume   119.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
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  0.0  0.06  0.96  1.0
  Hf  Hf1  2  0.0  0.07  0.63  1.0
  Zn  Zn2  2  0.0  0.13  0.99  1.0

Hf Hf Hf Hf Zn Zn