# generated using pymatgen
data_HfFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96840000
_cell_length_b   4.96837428
_cell_length_c   16.22314292
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99912634
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFe2
_chemical_formula_sum   'Hf8 Fe16'
_cell_volume   346.81694416
_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  0.00000146  0.00000054  0.40593613  1.0
  Hf  Hf1  1  0.99999854  0.99999946  0.59406387  1.0
  Hf  Hf2  1  0.99999854  0.99999946  0.90593613  1.0
  Hf  Hf3  1  0.00000146  0.00000054  0.09406387  1.0
  Hf  Hf4  1  0.33333472  0.66666428  0.65613129  1.0
  Hf  Hf5  1  0.66666528  0.33333572  0.34386871  1.0
  Hf  Hf6  1  0.66666528  0.33333572  0.15613129  1.0
  Hf  Hf7  1  0.33333472  0.66666428  0.84386871  1.0
  Fe  Fe8  1  0.33333298  0.66666702  0.37559685  1.0
  Fe  Fe9  1  0.66666702  0.33333298  0.62440315  1.0
  Fe  Fe10  1  0.66666702  0.33333298  0.87559685  1.0
  Fe  Fe11  1  0.33333298  0.66666702  0.12440315  1.0
  Fe  Fe12  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe13  1  0.50000000  0.00000000  0.50000000  1.0
  Fe  Fe14  1  0.00000000  0.50000000  0.50000000  1.0
  Fe  Fe15  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe16  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe17  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe18  1  0.16555892  0.83444208  0.25000000  1.0
  Fe  Fe19  1  0.16555827  0.33111680  0.25000000  1.0
  Fe  Fe20  1  0.66888120  0.83444173  0.25000000  1.0
  Fe  Fe21  1  0.83444108  0.16555792  0.75000000  1.0
  Fe  Fe22  1  0.83444173  0.66888320  0.75000000  1.0
  Fe  Fe23  1  0.33111880  0.16555827  0.75000000  1.0