data_Hf2TiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   147.05
_cell_angle_beta   130.2
_cell_angle_gamma   61.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TiNi
_chemical_formula_sum   'Hf2 Ti1 Ni1'
_cell_volume   71.27
_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  0.0  0.35  0.77  1.0
  Hf  Hf1  1  0.0  0.0  0.64  1.0
  Ti  Ti3  1  0.0  0.0  0.88  1.0
  Ni  Ni2  1  0.0  0.35  0.12  1.0

data_Hf2TiNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.69
_cell_length_c   5.57
_cell_angle_alpha   114.9
_cell_angle_beta   106.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TiNi
_chemical_formula_sum   'Hf2 Ti1 Ni1'
_cell_volume   71.27
_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  0.0  0.64  0.64  1.0
  Hf  Hf1  1  0.65  0.42  0.42  1.0
  Ti  Ti2  1  0.0  0.88  0.88  1.0
  Ni  Ni3  1  0.65  0.77  0.77  1.0

Hf Hf Ti Ni