# generated using pymatgen
data_Th8ScS17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.10614882
_cell_length_b   8.10614781
_cell_length_c   10.81396777
_cell_angle_alpha   80.46362162
_cell_angle_beta   80.46362359
_cell_angle_gamma   65.16465841
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th8ScS17
_chemical_formula_sum   'Th8 Sc1 S17'
_cell_volume   632.27865454
_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
  Th  Th0  1  0.79292797  0.79292797  0.45677968  1.0
  Th  Th1  1  0.20707203  0.20707203  0.54322032  1.0
  Th  Th2  1  0.69728133  0.18682523  0.70372828  1.0
  Th  Th3  1  0.18682523  0.69728133  0.70372828  1.0
  Th  Th4  1  0.81317477  0.30271867  0.29627172  1.0
  Th  Th5  1  0.68214790  0.68214790  0.97847839  1.0
  Th  Th6  1  0.31785210  0.31785210  0.02152161  1.0
  Th  Th7  1  0.30271867  0.81317477  0.29627172  1.0
  Sc  Sc8  1  0.00000000  0.00000000  0.00000000  1.0
  S  S9  1  0.48025907  0.48025907  0.16643371  1.0
  S  S10  1  0.69473057  0.69473057  0.24531837  1.0
  S  S11  1  0.57092346  0.17565354  0.46908879  1.0
  S  S12  1  0.05762258  0.67289704  0.96611471  1.0
  S  S13  1  0.20815282  0.20815282  0.27933476  1.0
  S  S14  1  0.42907654  0.82434646  0.53091121  1.0
  S  S15  1  0.51974093  0.51974093  0.83356629  1.0
  S  S16  1  0.67289704  0.05762258  0.96611471  1.0
  S  S17  1  0.93985459  0.93985459  0.23165384  1.0
  S  S18  1  0.06014541  0.06014541  0.76834616  1.0
  S  S19  1  0.30526943  0.30526943  0.75468163  1.0
  S  S20  1  0.32710296  0.94237742  0.03388529  1.0
  S  S21  1  0.82434646  0.42907654  0.53091121  1.0
  S  S22  1  0.94237742  0.32710296  0.03388529  1.0
  S  S23  1  0.17565354  0.57092346  0.46908879  1.0
  S  S24  1  0.00000000  0.00000000  0.50000000  1.0
  S  S25  1  0.79184718  0.79184718  0.72066524  1.0