# generated using pymatgen
data_Hf3ScS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.20297778
_cell_length_b   6.20297858
_cell_length_c   6.38143012
_cell_angle_alpha   80.61709636
_cell_angle_beta   80.61709328
_cell_angle_gamma   119.80495518
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3ScS6
_chemical_formula_sum   'Hf3 Sc1 S6'
_cell_volume   201.48493688
_cell_formula_units_Z   1
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  0.67153174  0.32846826  0.50000000  1.0
  Hf  Hf1  1  0.32846826  0.67153174  0.50000000  1.0
  Hf  Hf2  1  0.00000000  0.00000000  0.50000000  1.0
  Sc  Sc3  1  0.50000000  0.50000000  0.00000000  1.0
  S  S4  1  0.91754079  0.58214697  0.75118826  1.0
  S  S5  1  0.58214697  0.91754079  0.75118826  1.0
  S  S6  1  0.25106024  0.25106024  0.74463199  1.0
  S  S7  1  0.08245921  0.41785303  0.24881174  1.0
  S  S8  1  0.74893976  0.74894076  0.25536801  1.0
  S  S9  1  0.41785303  0.08245921  0.24881174  1.0