data_HfZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   4.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   143.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn2
_chemical_formula_sum   'Hf2 Zn4'
_cell_volume   102.3
_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  0.02  0.03  0.05  1.0
  Hf  Hf1  1  0.02  0.97  0.14  1.0
  Zn  Zn2  1  0.02  0.85  0.05  1.0
  Zn  Zn3  1  0.02  0.15  0.14  1.0
  Zn  Zn4  1  0.02  0.03  0.05  1.0
  Zn  Zn5  1  0.02  0.97  0.14  1.0

data_HfZn2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.04
_cell_length_b   4.19
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   108.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfZn2
_chemical_formula_sum   'Hf2 Zn4'
_cell_volume   102.3
_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  0.03  0.55  0.53  1.0
  Zn  Zn1  2  0.03  0.55  0.53  1.0
  Zn  Zn2  2  0.15  0.45  0.65  1.0
