data_Hf2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71
_cell_length_b   7.71
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   154.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Nb
_chemical_formula_sum   'Hf4 Nb2'
_cell_volume   125.61
_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  0.73  0.89  0.21  1.0
  Hf  Hf1  1  0.73  0.11  0.63  1.0
  Hf  Hf2  1  0.73  0.94  0.63  1.0
  Hf  Hf3  1  0.73  0.06  0.21  1.0
  Nb  Nb4  1  0.73  0.05  0.21  1.0
  Nb  Nb5  1  0.73  0.95  0.63  1.0

data_Hf2Nb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.46
_cell_length_b   4.84
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   102.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Hf2Nb
_chemical_formula_sum   'Hf4 Nb2'
_cell_volume   125.61
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.06  0.71  0.06  1.0
  Hf  Hf1  2  0.11  0.29  0.11  1.0
  Nb  Nb2  2  0.05  0.71  0.05  1.0

Hf Hf Hf Hf Nb Nb