data_Hf2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.67
_cell_length_b   12.67
_cell_length_c   12.67
_cell_angle_alpha   166.43
_cell_angle_beta   166.43
_cell_angle_gamma   19.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Ni
_chemical_formula_sum   'Hf4 Ni2'
_cell_volume   112.04
_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  0.5  0.0  0.53  1.0
  Hf  Hf1  1  0.5  0.0  0.97  1.0
  Hf  Hf2  1  0.0  0.0  0.77  1.0
  Hf  Hf3  1  0.0  0.0  0.22  1.0
  Ni  Ni4  1  0.0  0.5  0.25  1.0
  Ni  Ni5  1  0.0  0.0  0.0  1.0

data_Hf2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   12.67
_cell_angle_alpha   96.79
_cell_angle_beta   96.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Ni
_chemical_formula_sum   'Hf4 Ni2'
_cell_volume   112.04
_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  0.03  0.0  0.53  1.0
  Hf  Hf1  1  0.23  0.0  0.23  1.0
  Hf  Hf2  1  0.47  0.0  0.97  1.0
  Hf  Hf3  1  0.78  0.0  0.78  1.0
  Ni  Ni4  1  0.0  0.0  0.0  1.0
  Ni  Ni5  1  0.25  0.5  0.25  1.0

Hf Hf Hf Hf Ni Ni