# generated using pymatgen
data_HfFeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97073167
_cell_length_b   6.31950291
_cell_length_c   6.82827314
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFeSi
_chemical_formula_sum   'Hf4 Fe4 Si4'
_cell_volume   171.34220166
_cell_formula_units_Z   4
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  0.75000000  0.51068166  0.19896156  1.0
  Hf  Hf1  1  0.75000000  0.01068166  0.30103844  1.0
  Hf  Hf2  1  0.25000000  0.48931834  0.80103844  1.0
  Hf  Hf3  1  0.25000000  0.98931834  0.69896156  1.0
  Fe  Fe4  1  0.75000000  0.34395135  0.55917730  1.0
  Fe  Fe5  1  0.75000000  0.84395135  0.94082270  1.0
  Fe  Fe6  1  0.25000000  0.65604865  0.44082270  1.0
  Fe  Fe7  1  0.25000000  0.15604865  0.05917730  1.0
  Si  Si8  1  0.75000000  0.20860127  0.89238307  1.0
  Si  Si9  1  0.75000000  0.70860127  0.60761693  1.0
  Si  Si10  1  0.25000000  0.79139873  0.10761693  1.0
  Si  Si11  1  0.25000000  0.29139873  0.39238307  1.0