# generated using pymatgen
data_HfFeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.59491052
_cell_length_b   9.59528978
_cell_length_c   9.59496590
_cell_angle_alpha   149.15373154
_cell_angle_beta   132.96951836
_cell_angle_gamma   57.30506348
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFeSi2
_chemical_formula_sum   'Hf6 Fe6 Si12'
_cell_volume   329.02501103
_cell_formula_units_Z   6
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  0.85864013  0.59614711  0.26252267  1.0
  Hf  Hf1  1  0.14135900  0.40385233  0.73747692  1.0
  Hf  Hf2  1  0.66638786  0.40387367  0.26250331  1.0
  Hf  Hf3  1  0.33361210  0.59612578  0.73749705  1.0
  Hf  Hf4  1  0.14200962  0.14198934  0.99995407  1.0
  Hf  Hf5  1  0.85799033  0.85801077  0.00004577  1.0
  Fe  Fe6  1  0.74529956  0.00001273  0.74532437  1.0
  Fe  Fe7  1  0.00000047  0.00000073  0.49999968  1.0
  Fe  Fe8  1  0.50000125  0.50000085  0.50000038  1.0
  Fe  Fe9  1  0.50000122  0.00000093  0.00000037  1.0
  Fe  Fe10  1  0.25469856  0.99998566  0.25467588  1.0
  Fe  Fe11  1  0.00000041  0.50000077  -0.00000036  1.0
  Si  Si12  1  0.48853875  0.13984532  0.34866592  1.0
  Si  Si13  1  0.51146125  0.86015464  0.65133398  1.0
  Si  Si14  1  0.20882661  0.86011151  0.34865595  1.0
  Si  Si15  1  0.79117344  0.13988849  0.65134405  1.0
  Si  Si16  1  0.70245668  0.70244927  0.99998865  1.0
  Si  Si17  1  0.29754357  0.29755096  0.00001139  1.0
  Si  Si18  1  0.50000246  0.74295843  0.24297722  1.0
  Si  Si19  1  0.49999700  0.25704103  0.75702277  1.0
  Si  Si20  1  0.00000989  0.25321065  0.25321310  1.0
  Si  Si21  1  0.21580093  0.71575206  0.49996418  1.0
  Si  Si22  1  0.99998958  0.74678882  0.74678686  1.0
  Si  Si23  1  0.78419935  0.28424815  0.50003580  1.0