data_Hf2FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   138.27
_cell_angle_beta   138.27
_cell_angle_gamma   60.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2FeNi
_chemical_formula_sum   'Hf2 Fe1 Ni1'
_cell_volume   63.59
_cell_formula_units_Z   1
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  Hf1  1  0.87  0.0  0.27  1.0
  Hf  Hf2  1  0.0  0.0  0.54  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.87  0.27  1.0

data_Hf2FeNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   5.25
_cell_angle_alpha   110.86
_cell_angle_beta   110.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2FeNi
_chemical_formula_sum   'Hf2 Fe1 Ni1'
_cell_volume   63.59
_cell_formula_units_Z   1
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  0.27  0.4  0.4  1.0
  Hf  Hf1  1  0.54  0.54  0.54  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.4  0.27  0.4  1.0

Hf Hf Fe Ni