# generated using pymatgen
data_HfSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73489424
_cell_length_b   5.45364534
_cell_length_c   9.63597088
_cell_angle_alpha   82.54150533
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSe3
_chemical_formula_sum   'Hf2 Se6'
_cell_volume   194.61241756
_cell_formula_units_Z   2
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  0.71519798  0.65310952  1.0
  Hf  Hf1  1  0.75000000  0.28480202  0.34689048  1.0
  Se  Se2  1  0.25000000  0.10855376  0.17766385  1.0
  Se  Se3  1  0.75000000  0.89144624  0.82233615  1.0
  Se  Se4  1  0.75000000  0.76224788  0.44796453  1.0
  Se  Se5  1  0.25000000  0.23775212  0.55203547  1.0
  Se  Se6  1  0.75000000  0.46001488  0.82112284  1.0
  Se  Se7  1  0.25000000  0.53998512  0.17887716  1.0