data_HfFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   3.35
_cell_length_c   8.9
_cell_angle_alpha   90.0
_cell_angle_beta   93.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFe
_chemical_formula_sum   'Hf4 Fe4'
_cell_volume   131.54
_cell_formula_units_Z   4
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  Hf4  1  0.1  0.68  0.4  1.0
  Hf  Hf5  1  0.91  0.68  0.5  1.0
  Hf  Hf6  1  0.68  0.0  0.96  1.0
  Hf  Hf7  1  0.13  0.0  0.19  1.0
  Fe  Fe0  1  0.44  0.0  0.09  1.0
  Fe  Fe1  1  0.9  0.0  0.39  1.0
  Fe  Fe2  1  0.65  0.68  0.12  1.0
  Fe  Fe3  1  0.47  0.68  1.0  1.0

data_HfFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.41
_cell_length_c   8.9
_cell_angle_alpha   93.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFe
_chemical_formula_sum   'Hf4 Fe4'
_cell_volume   131.54
_cell_formula_units_Z   4
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  0.32  0.04  1.0
  Hf  Hf1  1  0.0  0.87  0.81  1.0
  Hf  Hf2  1  0.32  0.09  0.5  1.0
  Hf  Hf3  1  0.32  0.9  0.6  1.0
  Fe  Fe4  1  0.0  0.1  0.61  1.0
  Fe  Fe5  1  0.0  0.56  0.91  1.0
  Fe  Fe6  1  0.32  0.35  0.88  1.0
  Fe  Fe7  1  0.32  0.53  0.0  1.0

Hf Hf Hf Hf Fe Fe Fe Fe