# generated using pymatgen
data_HfSc7S12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.16734717
_cell_length_b   11.60695982
_cell_length_c   6.37245101
_cell_angle_alpha   79.37105098
_cell_angle_beta   69.64836259
_cell_angle_gamma   31.08889220
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc7S12
_chemical_formula_sum   'Hf1 Sc7 S12'
_cell_volume   423.58190224
_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  0.16547523  0.16547523  0.33452477  1.0
  Sc  Sc1  1  0.33500956  0.33500956  0.16499044  1.0
  Sc  Sc2  1  0.08279889  0.08279889  0.91720111  1.0
  Sc  Sc3  1  0.91635022  0.91635022  0.08364978  1.0
  Sc  Sc4  1  0.50173000  0.50173000  0.99827000  1.0
  Sc  Sc5  1  0.99742105  0.99742105  0.50257895  1.0
  Sc  Sc6  1  0.74862763  0.74862763  0.25137237  1.0
  Sc  Sc7  1  0.25284590  0.25284590  0.74715410  1.0
  S  S8  1  0.48823525  0.00834868  0.01142136  1.0
  S  S9  1  0.00834868  0.48823525  0.49199472  1.0
  S  S10  1  0.75834640  0.24219007  0.24145427  1.0
  S  S11  1  0.24219007  0.75834640  0.75800926  1.0
  S  S12  1  0.58390635  0.07794961  0.40934712  1.0
  S  S13  1  0.92999117  0.40689147  0.08216401  1.0
  S  S14  1  0.40689147  0.92999117  0.58095234  1.0
  S  S15  1  0.07794961  0.58390635  0.92879693  1.0
  S  S16  1  0.66556306  0.17242619  0.84055297  1.0
  S  S17  1  0.32268446  0.84320783  0.17276155  1.0
  S  S18  1  0.84320783  0.32268446  0.66134716  1.0
  S  S19  1  0.17242619  0.66556306  0.32145878  1.0