# generated using pymatgen
data_HfU9S20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.21432686
_cell_length_b   10.21432686
_cell_length_c   6.30878692
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfU9S20
_chemical_formula_sum   'Hf1 U9 S20'
_cell_volume   658.21134225
_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  0.50000000  0.00000000  0.84212294  1.0
  U  U1  1  0.83762172  0.14656794  0.25479822  1.0
  U  U2  1  0.64656794  0.66237828  0.25479822  1.0
  U  U3  1  0.35343206  0.33762172  0.25479822  1.0
  U  U4  1  0.16237828  0.85343206  0.25479822  1.0
  U  U5  1  0.33966175  0.65344940  0.75659013  1.0
  U  U6  1  0.15344940  0.16033825  0.75659013  1.0
  U  U7  1  0.84655060  0.83966175  0.75659013  1.0
  U  U8  1  0.66033825  0.34655060  0.75659013  1.0
  U  U9  1  0.00000000  0.50000000  0.14248025  1.0
  S  S10  1  0.70514561  0.08392413  0.62532730  1.0
  S  S11  1  0.58392413  0.79485439  0.62532730  1.0
  S  S12  1  0.41607587  0.20514561  0.62532730  1.0
  S  S13  1  0.29485439  0.91607587  0.62532730  1.0
  S  S14  1  0.69769356  0.91432859  0.09265546  1.0
  S  S15  1  0.58567141  0.19769356  0.09265546  1.0
  S  S16  1  0.41432859  0.80230644  0.09265546  1.0
  S  S17  1  0.30230644  0.08567141  0.09265546  1.0
  S  S18  1  0.50000000  0.50000000  0.00578105  1.0
  S  S19  1  0.00000000  0.00000000  0.00578105  1.0
  S  S20  1  0.21070679  0.41093905  0.89471018  1.0
  S  S21  1  0.08906095  0.71070679  0.89471018  1.0
  S  S22  1  0.91093905  0.28929321  0.89471018  1.0
  S  S23  1  0.78929321  0.58906095  0.89471018  1.0
  S  S24  1  0.50000000  0.50000000  0.50559795  1.0
  S  S25  1  0.00000000  0.00000000  0.50559795  1.0
  S  S26  1  0.21345218  0.59677245  0.37407867  1.0
  S  S27  1  0.09677245  0.28654782  0.37407867  1.0
  S  S28  1  0.90322755  0.71345218  0.37407867  1.0
  S  S29  1  0.78654782  0.40322755  0.37407867  1.0