data_HfNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   16.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNi2
_chemical_formula_sum   'Hf8 Ni16'
_cell_volume   331.61
_cell_formula_units_Z   8
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  0.0  0.0  0.5  1.0
  Hf  Hf1  1  0.0  0.0  0.53  1.0
  Hf  Hf2  1  0.0  0.0  0.51  1.0
  Hf  Hf3  1  0.0  0.0  0.52  1.0
  Hf  Hf4  1  0.44  0.41  0.53  1.0
  Hf  Hf5  1  0.0  0.82  0.5  1.0
  Hf  Hf6  1  0.0  0.82  0.51  1.0
  Hf  Hf7  1  0.44  0.41  0.51  1.0
  Ni  Ni8  1  0.44  0.41  1.0  1.0
  Ni  Ni9  1  0.0  0.82  0.03  1.0
  Ni  Ni10  1  0.0  0.82  0.01  1.0
  Ni  Ni11  1  0.44  0.41  0.01  1.0
  Ni  Ni12  1  0.78  0.12  0.0  1.0
  Ni  Ni13  1  0.22  0.12  0.0  1.0
  Ni  Ni14  1  0.44  0.0  0.0  1.0
  Ni  Ni15  1  0.78  0.12  0.01  1.0
  Ni  Ni16  1  0.22  0.12  0.01  1.0
  Ni  Ni17  1  0.44  0.0  0.01  1.0
  Ni  Ni18  1  0.22  0.7  0.01  1.0
  Ni  Ni19  1  0.67  0.7  0.01  1.0
  Ni  Ni20  1  0.44  0.83  0.01  1.0
  Ni  Ni21  1  0.23  0.53  0.02  1.0
  Ni  Ni22  1  0.77  0.53  0.02  1.0
  Ni  Ni23  1  0.0  0.41  0.02  1.0

data_HfNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   16.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNi2
_chemical_formula_sum   'Hf8 Ni16'
_cell_volume   331.61
_cell_formula_units_Z   8
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  0.0  0.0  0.5  1.0
  Hf  Hf1  1  0.0  0.0  0.51  1.0
  Hf  Hf2  1  0.0  0.0  0.52  1.0
  Hf  Hf3  1  0.0  0.0  0.53  1.0
  Hf  Hf4  1  0.0  0.82  0.5  1.0
  Hf  Hf5  1  0.0  0.82  0.51  1.0
  Hf  Hf6  1  0.44  0.41  0.51  1.0
  Hf  Hf7  1  0.44  0.41  0.53  1.0
  Ni  Ni8  1  0.0  0.82  0.01  1.0
  Ni  Ni9  1  0.0  0.82  0.03  1.0
  Ni  Ni10  1  0.0  0.41  0.02  1.0
  Ni  Ni11  1  0.22  0.7  0.01  1.0
  Ni  Ni12  1  0.22  0.12  -0.0  1.0
  Ni  Ni13  1  0.22  0.12  0.01  1.0
  Ni  Ni14  1  0.23  0.53  0.02  1.0
  Ni  Ni15  1  0.44  0.0  0.0  1.0
  Ni  Ni16  1  0.44  0.0  0.01  1.0
  Ni  Ni17  1  0.44  0.41  0.01  1.0
  Ni  Ni18  1  0.44  0.41  1.0  1.0
  Ni  Ni19  1  0.44  0.83  0.01  1.0
  Ni  Ni20  1  0.67  0.7  0.01  1.0
  Ni  Ni21  1  0.77  0.53  0.02  1.0
  Ni  Ni22  1  0.78  0.12  -0.0  1.0
  Ni  Ni23  1  0.78  0.12  0.01  1.0

Hf Hf Hf Hf Hf Hf Hf Hf Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni