# generated using pymatgen
data_Th5Sn3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.47121499
_cell_length_b   9.47121463
_cell_length_c   6.61369684
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000127
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5Sn3S
_chemical_formula_sum   'Th10 Sn6 S2'
_cell_volume   513.79075174
_cell_formula_units_Z   2
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  0.66666700  0.33333300  0.00000000  1.0
  Th  Th1  1  0.33333300  0.66666700  0.00000000  1.0
  Th  Th2  1  0.33333300  0.66666700  0.50000000  1.0
  Th  Th3  1  0.66666700  0.33333300  0.50000000  1.0
  Th  Th4  1  0.74317710  0.74317710  0.75000000  1.0
  Th  Th5  1  0.25682290  0.00000000  0.75000000  1.0
  Th  Th6  1  0.00000000  0.25682290  0.75000000  1.0
  Th  Th7  1  0.25682290  0.25682290  0.25000000  1.0
  Th  Th8  1  0.74317710  0.00000000  0.25000000  1.0
  Th  Th9  1  1.00000000  0.74317710  0.25000000  1.0
  Sn  Sn10  1  0.39071573  0.39071573  0.75000000  1.0
  Sn  Sn11  1  0.60928427  0.00000000  0.75000000  1.0
  Sn  Sn12  1  0.00000000  0.60928427  0.75000000  1.0
  Sn  Sn13  1  0.60928427  0.60928427  0.25000000  1.0
  Sn  Sn14  1  0.39071573  0.00000000  0.25000000  1.0
  Sn  Sn15  1  1.00000000  0.39071573  0.25000000  1.0
  S  S16  1  0.00000000  0.00000000  0.00000000  1.0
  S  S17  1  0.00000000  0.00000000  0.50000000  1.0