# generated using pymatgen
data_Th2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64669280
_cell_length_b   7.68385843
_cell_length_c   10.22618131
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2S5
_chemical_formula_sum   'Th8 S20'
_cell_volume   600.85058211
_cell_formula_units_Z   4
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  0.76784626  0.02018159  0.85399254  1.0
  Th  Th1  1  0.26784626  0.97981841  0.64600746  1.0
  Th  Th2  1  0.73215374  0.52018159  0.64600746  1.0
  Th  Th3  1  0.23215374  0.47981841  0.85399254  1.0
  Th  Th4  1  0.23215374  0.97981841  0.14600746  1.0
  Th  Th5  1  0.73215374  0.02018159  0.35399254  1.0
  Th  Th6  1  0.26784626  0.47981841  0.35399254  1.0
  Th  Th7  1  0.76784626  0.52018159  0.14600746  1.0
  S  S8  1  0.00000000  0.75000000  0.75146869  1.0
  S  S9  1  0.50000000  0.25000000  0.74853131  1.0
  S  S10  1  0.00000000  0.25000000  0.24853131  1.0
  S  S11  1  0.50000000  0.75000000  0.25146869  1.0
  S  S12  1  0.63809252  0.38902109  0.39179506  1.0
  S  S13  1  0.13809252  0.61097891  0.10820494  1.0
  S  S14  1  0.86190748  0.88902109  0.10820494  1.0
  S  S15  1  0.36190748  0.11097991  0.39179506  1.0
  S  S16  1  0.36190748  0.61097891  0.60820494  1.0
  S  S17  1  0.86190748  0.38902109  0.89179506  1.0
  S  S18  1  0.13809252  0.11097991  0.89179506  1.0
  S  S19  1  0.63809252  0.88902109  0.60820494  1.0
  S  S20  1  0.09756038  0.84894880  0.39830681  1.0
  S  S21  1  0.59756038  0.15105120  0.10169319  1.0
  S  S22  1  0.40243962  0.34894880  0.10169319  1.0
  S  S23  1  0.90243962  0.65105120  0.39830681  1.0
  S  S24  1  0.90243962  0.15105120  0.60169319  1.0
  S  S25  1  0.40243962  0.84894880  0.89830681  1.0
  S  S26  1  0.59756038  0.65105120  0.89830681  1.0
  S  S27  1  0.09756038  0.34894880  0.60169319  1.0