data_HfNbFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   139.41
_cell_angle_beta   139.41
_cell_angle_gamma   58.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbFe2
_chemical_formula_sum   'Hf1 Nb1 Fe2'
_cell_volume   59.9
_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  Hf2  1  0.81  0.0  0.28  1.0
  Nb  Nb3  1  0.0  0.0  0.56  1.0
  Fe  Fe0  1  0.0  0.81  0.28  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0

data_HfNbFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   5.23
_cell_angle_alpha   110.3
_cell_angle_beta   110.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbFe2
_chemical_formula_sum   'Hf1 Nb1 Fe2'
_cell_volume   59.9
_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  0.28  0.46  0.46  1.0
  Nb  Nb1  1  0.56  0.56  0.56  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Fe  Fe3  1  0.46  0.28  0.46  1.0

Hf Nb Fe Fe