# generated using pymatgen
data_PrTh9(Sn3S)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.45477785
_cell_length_b   9.48458807
_cell_length_c   6.64368434
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.10435633
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrTh9(Sn3S)2
_chemical_formula_sum   'Pr1 Th9 Sn6 S2'
_cell_volume   515.40873534
_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
  Pr  Pr0  1  0.00000000  0.74429937  0.75000000  1.0
  Th  Th1  1  0.25599399  0.25542782  0.75000000  1.0
  Th  Th2  1  0.33478815  0.66611557  0.49917112  1.0
  Th  Th3  1  0.66521185  0.33132542  0.49917112  1.0
  Th  Th4  1  0.74535036  0.74548970  0.25000000  1.0
  Th  Th5  1  0.74400601  0.99943383  0.75000000  1.0
  Th  Th6  1  1.00000000  0.25705895  0.25000000  1.0
  Th  Th7  1  0.25464964  0.00013934  0.25000000  1.0
  Th  Th8  1  0.33478815  0.66611557  0.00082888  1.0
  Th  Th9  1  0.66521185  0.33132542  0.00082888  1.0
  Sn  Sn10  1  0.60873654  0.60757488  0.75000000  1.0
  Sn  Sn11  1  0.00000000  0.39107999  0.75000000  1.0
  Sn  Sn12  1  0.39126346  0.99883834  0.75000000  1.0
  Sn  Sn13  1  0.60819253  0.99965418  0.25000000  1.0
  Sn  Sn14  1  0.39180747  0.39146165  0.25000000  1.0
  Sn  Sn15  1  1.00000000  0.60870471  0.25000000  1.0
  S  S16  1  1.00000000  0.00297763  0.00153929  1.0
  S  S17  1  1.00000000  0.00297763  0.49846071  1.0