# generated using pymatgen
data_HfS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59888445
_cell_length_b   5.13401151
_cell_length_c   9.16909621
_cell_angle_alpha   97.55719919
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfS3
_chemical_formula_sum   'Hf2 S6'
_cell_volume   167.94324379
_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  0.28558485  0.65135954  1.0
  Hf  Hf1  1  0.75000000  0.71441515  0.34864046  1.0
  S  S2  1  0.25000000  0.87572904  0.17818478  1.0
  S  S3  1  0.75000000  0.12427096  0.82181422  1.0
  S  S4  1  0.75000000  0.23770236  0.44809899  1.0
  S  S5  1  0.25000000  0.76229764  0.55190101  1.0
  S  S6  1  0.75000000  0.52715722  0.82195145  1.0
  S  S7  1  0.25000000  0.47284278  0.17804855  1.0