# generated using pymatgen
data_Th2Si3(PRu3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.52302234
_cell_length_b   9.45223848
_cell_length_c   3.97963231
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.01358297
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Si3(PRu3)4
_chemical_formula_sum   'Th2 Si3 P4 Ru12'
_cell_volume   310.18700119
_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  0.66376758  0.33381785  0.50000000  1.0
  Th  Th1  1  0.33426539  0.66671180  0.00000000  1.0
  Si  Si2  1  0.61306702  0.71730759  0.50000000  1.0
  Si  Si3  1  0.00283313  0.99982990  0.00000000  1.0
  Si  Si4  1  0.28541082  0.89459368  0.50000000  1.0
  P  P5  1  0.10620170  0.38905723  0.50000000  1.0
  P  P6  1  0.89417179  0.58200296  0.00000000  1.0
  P  P7  1  0.41507916  0.31343212  0.00000000  1.0
  P  P8  1  0.68258969  0.10353419  0.00000000  1.0
  Ru  Ru9  1  0.56384369  0.95540123  0.50000000  1.0
  Ru  Ru10  1  0.38872274  0.43917971  0.50000000  1.0
  Ru  Ru11  1  0.91210458  0.11679330  0.50000000  1.0
  Ru  Ru12  1  0.20303429  0.09289990  0.50000000  1.0
  Ru  Ru13  1  0.89029667  0.79169161  0.50000000  1.0
  Ru  Ru14  1  0.72831568  0.88848476  0.00000000  1.0
  Ru  Ru15  1  0.11519511  0.83617686  0.00000000  1.0
  Ru  Ru16  1  0.15941434  0.27907933  0.00000000  1.0
  Ru  Ru17  1  0.42320819  0.07082687  0.00000000  1.0
  Ru  Ru18  1  0.92531966  0.35178110  0.00000000  1.0
  Ru  Ru19  1  0.64407064  0.57496322  0.00000000  1.0
  Ru  Ru20  1  0.04908814  0.60243281  0.50000000  1.0