data_Hf2TiNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   4.66
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   103.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TiNb
_chemical_formula_sum   'Hf2 Ti1 Nb1'
_cell_volume   80.03
_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  0.55  0.33  0.53  1.0
  Hf  Hf1  1  0.33  0.0  0.54  1.0
  Ti  Ti3  1  0.09  0.0  0.25  1.0
  Nb  Nb2  1  0.58  0.33  0.82  1.0

data_Hf2TiNb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.66
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   103.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TiNb
_chemical_formula_sum   'Hf2 Ti1 Nb1'
_cell_volume   80.03
_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  0.33  0.0  0.54  1.0
  Hf  Hf1  1  0.55  0.33  0.53  1.0
  Ti  Ti2  1  0.09  0.0  0.25  1.0
  Nb  Nb3  1  0.58  0.33  0.82  1.0

Hf Hf Ti Nb