data_Hf5Fe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   8.78
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Fe3
_chemical_formula_sum   'Hf5 Fe3'
_cell_volume   144.99
_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  Hf3  1  0.56  0.39  0.07  1.0
  Hf  Hf4  1  0.56  0.48  0.54  1.0
  Hf  Hf5  1  0.56  0.3  0.54  1.0
  Hf  Hf6  1  0.0  0.58  0.8  1.0
  Hf  Hf7  1  0.0  0.2  0.8  1.0
  Fe  Fe0  1  0.0  0.0  0.93  1.0
  Fe  Fe1  1  0.0  0.39  0.05  1.0
  Fe  Fe2  1  0.56  0.0  0.26  1.0

data_Hf5Fe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.31
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Fe3
_chemical_formula_sum   'Hf5 Fe3'
_cell_volume   144.99
_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  0.2  0.8  1.0
  Hf  Hf1  1  0.0  0.2  0.42  1.0
  Hf  Hf2  1  0.44  0.46  0.52  1.0
  Hf  Hf3  1  0.44  0.46  0.7  1.0
  Hf  Hf4  1  0.44  0.93  0.61  1.0
  Fe  Fe5  1  0.0  0.07  0.0  1.0
  Fe  Fe6  1  0.0  0.95  0.61  1.0
  Fe  Fe7  1  0.44  0.74  0.0  1.0

Hf Hf Hf Hf Hf Fe Fe Fe