# generated using pymatgen
data_Th6RuI15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.70328624
_cell_length_b   10.70328555
_cell_length_c   10.70328564
_cell_angle_alpha   109.47122267
_cell_angle_beta   109.47122136
_cell_angle_gamma   109.47121597
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th6RuI15
_chemical_formula_sum   'Th6 Ru1 I15'
_cell_volume   943.90760908
_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  1.00000000  0.23166604  0.23166604  1.0
  Th  Th1  1  0.00000000  0.76833396  0.76833396  1.0
  Th  Th2  1  0.23166604  0.00000000  0.23166604  1.0
  Th  Th3  1  0.76833396  1.00000000  0.76833396  1.0
  Th  Th4  1  0.23166604  0.23166604  0.00000000  1.0
  Th  Th5  1  0.76833396  0.76833396  1.00000000  1.0
  Ru  Ru6  1  0.00000000  0.00000000  0.00000000  1.0
  I  I7  1  0.50780420  0.25390360  0.25390360  1.0
  I  I8  1  0.49219580  0.74609640  0.74609640  1.0
  I  I9  1  0.00000000  0.25390360  0.74609640  1.0
  I  I10  1  1.00000000  0.74609640  0.25390360  1.0
  I  I11  1  0.25390360  0.50780420  0.25390360  1.0
  I  I12  1  0.74609640  1.00000000  0.25390360  1.0
  I  I13  1  0.74609640  0.49219580  0.74609640  1.0
  I  I14  1  0.25390360  0.00000000  0.74609640  1.0
  I  I15  1  0.25390360  0.25390360  0.50780420  1.0
  I  I16  1  0.74609640  0.74609640  0.49219580  1.0
  I  I17  1  0.74609640  0.25390360  1.00000000  1.0
  I  I18  1  0.25390360  0.74609640  0.00000000  1.0
  I  I19  1  0.00000000  0.50000000  0.50000000  1.0
  I  I20  1  0.50000000  0.00000000  0.50000000  1.0
  I  I21  1  0.50000000  0.50000000  0.00000000  1.0