data_HfTi2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.16
_cell_angle_alpha   99.86
_cell_angle_beta   99.86
_cell_angle_gamma   33.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2Nb
_chemical_formula_sum   'Hf1 Ti2 Nb1'
_cell_volume   75.27
_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  0.45  0.0  0.51  1.0
  Ti  Ti2  1  0.02  0.0  0.03  1.0
  Ti  Ti3  1  0.12  0.0  0.22  1.0
  Nb  Nb1  1  0.81  0.0  0.85  1.0

data_HfTi2Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   5.15
_cell_length_c   5.16
_cell_angle_alpha   99.86
_cell_angle_beta   90.0
_cell_angle_gamma   106.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2Nb
_chemical_formula_sum   'Hf1 Ti2 Nb1'
_cell_volume   75.27
_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  0.55  0.49  1.0
  Ti  Ti1  1  0.0  0.88  0.78  1.0
  Ti  Ti2  1  0.0  0.98  0.97  1.0
  Nb  Nb3  1  0.0  0.19  0.15  1.0

Hf Ti Ti Nb