# generated using pymatgen
data_ScU8S17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94842365
_cell_length_b   7.94842289
_cell_length_c   10.59112641
_cell_angle_alpha   80.32156815
_cell_angle_beta   80.32156810
_cell_angle_gamma   64.74383444
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScU8S17
_chemical_formula_sum   'Sc1 U8 S17'
_cell_volume   593.04846681
_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
  Sc  Sc0  1  0.00000000  -0.00000000  -0.00000000  1.0
  U  U1  1  0.79513395  0.79513395  0.46053354  1.0
  U  U2  1  0.20486605  0.20486605  0.53946646  1.0
  U  U3  1  0.69910000  0.18490685  0.70050058  1.0
  U  U4  1  0.18490685  0.69910000  0.70050058  1.0
  U  U5  1  0.81509315  0.30090000  0.29949942  1.0
  U  U6  1  0.67962482  0.67962482  0.98308909  1.0
  U  U7  1  0.32037518  0.32037518  0.01691091  1.0
  U  U8  1  0.30090000  0.81509315  0.29949942  1.0
  S  S9  1  0.48048924  0.48048924  0.16839087  1.0
  S  S10  1  0.69474611  0.69474611  0.24882423  1.0
  S  S11  1  0.56900152  0.17506437  0.46672223  1.0
  S  S12  1  0.05844349  0.66967922  0.96633916  1.0
  S  S13  1  0.20785399  0.20785399  0.27662275  1.0
  S  S14  1  0.43099848  0.82493563  0.53327777  1.0
  S  S15  1  0.51951076  0.51951076  0.83160913  1.0
  S  S16  1  0.66967922  0.05844349  0.96633916  1.0
  S  S17  1  0.93955271  0.93955271  0.23504957  1.0
  S  S18  1  0.06044729  0.06044729  0.76495043  1.0
  S  S19  1  0.30525389  0.30525389  0.75117577  1.0
  S  S20  1  0.33032078  0.94155651  0.03366084  1.0
  S  S21  1  0.82493563  0.43099848  0.53327777  1.0
  S  S22  1  0.94155651  0.33032078  0.03366084  1.0
  S  S23  1  0.17506437  0.56900152  0.46672223  1.0
  S  S24  1  0.00000000  -0.00000000  0.50000000  1.0
  S  S25  1  0.79214601  0.79214601  0.72337725  1.0