data_HfNb2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   2.9
_cell_angle_alpha   99.83
_cell_angle_beta   99.83
_cell_angle_gamma   119.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNb2Ni
_chemical_formula_sum   'Hf1 Nb2 Ni1'
_cell_volume   69.14
_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  0.72  0.0  0.0  1.0
  Nb  Nb1  1  0.87  0.66  0.36  1.0
  Nb  Nb2  1  0.87  0.34  0.36  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_HfNb2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.22
_cell_length_c   5.4
_cell_angle_alpha   115.38
_cell_angle_beta   99.83
_cell_angle_gamma   101.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNb2Ni
_chemical_formula_sum   'Hf1 Nb2 Ni1'
_cell_volume   69.14
_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  0.0  0.72  1.0
  Nb  Nb1  1  0.03  0.66  0.53  1.0
  Nb  Nb2  1  0.7  0.34  0.2  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Hf Nb Nb Ni