data_HfZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   120.12
_cell_angle_beta   89.99
_cell_angle_gamma   119.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn3
_chemical_formula_sum   'Hf2 Zn6'
_cell_volume   132.07
_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  0.85  0.02  0.06  1.0
  Hf  Hf1  1  0.0  0.02  0.8  1.0
  Zn  Zn2  1  0.85  0.98  0.82  1.0
  Zn  Zn3  1  0.43  0.98  0.43  1.0
  Zn  Zn4  1  0.43  0.07  0.43  1.0
  Zn  Zn5  1  0.43  0.02  0.57  1.0
  Zn  Zn6  1  0.57  0.07  0.43  1.0
  Zn  Zn7  1  0.0  0.06  0.04  1.0

data_HfZn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.71
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   60.11
_cell_angle_beta   60.06
_cell_angle_gamma   60.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn3
_chemical_formula_sum   'Hf2 Zn6'
_cell_volume   132.07
_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  0.2  0.0  0.78  1.0
  Hf  Hf1  1  0.94  0.85  0.04  1.0
  Zn  Zn2  1  0.18  0.85  0.84  1.0
  Zn  Zn3  1  0.43  0.43  0.55  1.0
  Zn  Zn4  1  0.57  0.43  0.36  1.0
  Zn  Zn5  1  0.57  0.43  0.46  1.0
  Zn  Zn6  1  0.57  0.57  0.36  1.0
  Zn  Zn7  1  0.96  0.0  0.98  1.0

Hf Hf Zn Zn Zn Zn Zn Zn