data_HfFe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   3.98
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   92.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFe5
_chemical_formula_sum   'Hf1 Fe5'
_cell_volume   78.44
_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  Hf5  1  0.84  0.99  0.67  1.0
  Fe  Fe0  1  0.91  0.0  0.25  1.0
  Fe  Fe1  1  0.77  0.99  0.13  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Fe  Fe3  1  0.61  0.99  0.21  1.0
  Fe  Fe4  1  0.46  0.0  0.08  1.0

data_HfFe5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.69
_cell_length_b   3.98
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   92.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfFe5
_chemical_formula_sum   'Hf1 Fe5'
_cell_volume   78.44
_cell_formula_units_Z   1
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  1  0.84  0.5  0.67  1.0
  Fe  Fe1  1  0.0  0.5  0.0  1.0
  Fe  Fe2  1  0.46  0.5  0.08  1.0
  Fe  Fe3  1  0.61  0.5  0.21  1.0
  Fe  Fe4  1  0.77  0.5  0.13  1.0
  Fe  Fe5  1  0.91  0.5  0.25  1.0

Hf Fe Fe Fe Fe Fe