The structure described by Hf2Fe crystallizes in the cubic Fd-3m space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to six equivalent Fe(1) atoms. In the second Hf site, Hf(2) is bonded in a 4-coordinate geometry to four equivalent Fe(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to three equivalent Hf(1) and six equivalent Hf(2) atoms. is represented by the CIF card [CIF]
data_Hf2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.516
_cell_length_b   8.516
_cell_length_c   8.516
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   436.677
_cell_formula_units_Z   8
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  0.500  0.500  0.500  1.0
  Hf  Hf1  1  0.500  0.500  0.000  1.0
  Hf  Hf2  1  0.000  0.500  0.500  1.0
  Hf  Hf3  1  0.500  0.000  0.500  1.0
  Hf  Hf4  1  0.685  0.065  0.065  1.0
  Hf  Hf5  1  0.935  0.935  0.315  1.0
  Hf  Hf6  1  0.315  0.315  0.935  1.0
  Hf  Hf7  1  0.935  0.315  0.315  1.0
  Hf  Hf8  1  0.935  0.315  0.935  1.0
  Hf  Hf9  1  0.315  0.935  0.315  1.0
  Hf  Hf10  1  0.065  0.685  0.065  1.0
  Hf  Hf11  1  0.065  0.065  0.685  1.0
  Hf  Hf12  1  0.685  0.685  0.065  1.0
  Hf  Hf13  1  0.685  0.065  0.685  1.0
  Hf  Hf14  1  0.315  0.935  0.935  1.0
  Hf  Hf15  1  0.065  0.685  0.685  1.0
  Fe  Fe16  1  0.714  0.714  0.714  1.0
  Fe  Fe17  1  0.286  0.286  0.642  1.0
  Fe  Fe18  1  0.642  0.286  0.286  1.0
  Fe  Fe19  1  0.286  0.642  0.286  1.0
  Fe  Fe20  1  0.358  0.714  0.714  1.0
  Fe  Fe21  1  0.714  0.358  0.714  1.0
  Fe  Fe22  1  0.714  0.714  0.358  1.0
  Fe  Fe23  1  0.286  0.286  0.286  1.0
[/CIF]
.
The structure described by Hf2Fe crystallizes in the cubic Fd-3m space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to six equivalent Fe(1) atoms. In the second Hf site, Hf(2) is bonded in a 4-coordinate geometry to four equivalent Fe(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to three equivalent Hf(1) and six equivalent Hf(2) atoms. is represented by the CIF card [CIF]
data_Hf2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.516
_cell_length_b   8.516
_cell_length_c   8.516
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   436.677
_cell_formula_units_Z   8
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  0.500  0.500  0.500  1.0
  Hf  Hf1  1  0.500  0.500  0.000  1.0
  Hf  Hf2  1  0.000  0.500  0.500  1.0
  Hf  Hf3  1  0.500  0.000  0.500  1.0
  Hf  Hf4  1  0.685  0.065  0.065  1.0
  Hf  Hf5  1  0.935  0.935  0.315  1.0
  Hf  Hf6  1  0.315  0.315  0.935  1.0
  Hf  Hf7  1  0.935  0.315  0.315  1.0
  Hf  Hf8  1  0.935  0.315  0.935  1.0
  Hf  Hf9  1  0.315  0.935  0.315  1.0
  Hf  Hf10  1  0.065  0.685  0.065  1.0
  Hf  Hf11  1  0.065  0.065  0.685  1.0
  Hf  Hf12  1  0.685  0.685  0.065  1.0
  Hf  Hf13  1  0.685  0.065  0.685  1.0
  Hf  Hf14  1  0.315  0.935  0.935  1.0
  Hf  Hf15  1  0.065  0.685  0.685  1.0
  Fe  Fe16  1  0.714  0.714  0.714  1.0
  Fe  Fe17  1  0.286  0.286  0.642  1.0
  Fe  Fe18  1  0.642  0.286  0.286  1.0
  Fe  Fe19  1  0.286  0.642  0.286  1.0
  Fe  Fe20  1  0.358  0.714  0.714  1.0
  Fe  Fe21  1  0.714  0.358  0.714  1.0
  Fe  Fe22  1  0.714  0.714  0.358  1.0
  Fe  Fe23  1  0.286  0.286  0.286  1.0
[/CIF]
.