data_HfFe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.03
_cell_angle_alpha   116.32
_cell_angle_beta   116.32
_cell_angle_gamma   50.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFe7
_chemical_formula_sum   'Hf1 Fe7'
_cell_volume   103.03
_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  Hf7  1  0.74  0.84  0.19  1.0
  Fe  Fe0  1  0.12  0.04  0.5  1.0
  Fe  Fe1  1  0.35  0.04  0.89  1.0
  Fe  Fe2  1  0.01  0.97  0.76  1.0
  Fe  Fe3  1  0.47  0.97  0.62  1.0
  Fe  Fe4  1  0.38  0.21  0.05  1.0
  Fe  Fe5  1  0.97  0.85  0.0  1.0
  Fe  Fe6  1  0.1  0.21  0.33  1.0

data_HfFe7
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.72
_cell_length_b   5.03
_cell_length_c   5.51
_cell_angle_alpha   116.32
_cell_angle_beta   115.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFe7
_chemical_formula_sum   'Hf1 Fe7'
_cell_volume   103.03
_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  0.84  0.19  0.58  1.0
  Fe  Fe1  1  0.04  0.5  0.17  1.0
  Fe  Fe2  1  0.04  0.89  0.4  1.0
  Fe  Fe3  1  0.21  0.05  0.58  1.0
  Fe  Fe4  1  0.21  0.33  0.3  1.0
  Fe  Fe5  1  0.85  0.0  0.83  1.0
  Fe  Fe6  1  0.97  0.62  0.44  1.0
  Fe  Fe7  1  0.97  0.76  0.98  1.0

Hf Fe Fe Fe Fe Fe Fe Fe