# generated using pymatgen
data_HfSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76822566
_cell_length_b   5.22344715
_cell_length_c   6.86239649
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSi
_chemical_formula_sum   'Hf4 Si4'
_cell_volume   135.07342565
_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  0.25000000  0.37439240  0.67514414  1.0
  Hf  Hf1  1  0.75000000  0.62560760  0.32485586  1.0
  Hf  Hf2  1  0.75000000  0.87439240  0.82485586  1.0
  Hf  Hf3  1  0.25000000  0.12560760  0.17514414  1.0
  Si  Si4  1  0.25000000  0.86087047  0.54312423  1.0
  Si  Si5  1  0.75000000  0.13912953  0.45687477  1.0
  Si  Si6  1  0.75000000  0.36087047  0.95687577  1.0
  Si  Si7  1  0.25000000  0.63912953  0.04312423  1.0