# generated using pymatgen
data_HfScS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.97521236
_cell_length_b   11.41588639
_cell_length_c   6.33688145
_cell_angle_alpha   79.21529882
_cell_angle_beta   69.46452841
_cell_angle_gamma   31.32017621
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScS3
_chemical_formula_sum   'Hf4 Sc4 S12'
_cell_volume   410.27815863
_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  0.16533686  0.16533686  0.33466314  1.0
  Hf  Hf1  1  0.33466314  0.33466314  0.16533686  1.0
  Hf  Hf2  1  0.08466314  0.08466314  0.91533686  1.0
  Hf  Hf3  1  0.91533686  0.91533686  0.08466314  1.0
  Sc  Sc4  1  0.50151904  0.50151904  0.99848096  1.0
  Sc  Sc5  1  0.99848096  0.99848096  0.50151904  1.0
  Sc  Sc6  1  0.74848096  0.74848096  0.25151904  1.0
  Sc  Sc7  1  0.25151904  0.25151904  0.74848096  1.0
  S  S8  1  0.49349196  0.00650804  0.00650804  1.0
  S  S9  1  0.00650804  0.49349196  0.49349196  1.0
  S  S10  1  0.75650804  0.24349196  0.24349196  1.0
  S  S11  1  0.24349196  0.75650804  0.75650804  1.0
  S  S12  1  0.58542085  0.08219148  0.41256126  1.0
  S  S13  1  0.91982542  0.41256126  0.08219148  1.0
  S  S14  1  0.41256126  0.91982542  0.58542085  1.0
  S  S15  1  0.08219148  0.58542085  0.91982542  1.0
  S  S16  1  0.66457915  0.16780852  0.83743874  1.0
  S  S17  1  0.33017458  0.83743874  0.16780852  1.0
  S  S18  1  0.83743874  0.33017458  0.66457915  1.0
  S  S19  1  0.16780852  0.66457915  0.33017458  1.0