# generated using pymatgen
data_SrTh(Al5Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86080835
_cell_length_b   6.86080885
_cell_length_c   9.16764674
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.05962240
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTh(Al5Ru)4
_chemical_formula_sum   'Sr1 Th1 Al20 Ru4'
_cell_volume   428.25600239
_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
  Sr  Sr0  1  0.87800433  0.12199567  0.75000000  1.0
  Th  Th1  1  0.12330412  0.87669588  0.25000000  1.0
  Al  Al2  1  0.62258973  0.37741027  0.54443075  1.0
  Al  Al3  1  0.37904792  0.62095208  0.44424188  1.0
  Al  Al4  1  0.37904792  0.62095208  0.05575812  1.0
  Al  Al5  1  0.62258973  0.37741027  0.95556925  1.0
  Al  Al6  1  0.22735768  0.23043256  0.50013982  1.0
  Al  Al7  1  0.76956744  0.77264232  0.50013982  1.0
  Al  Al8  1  0.76956744  0.77264232  0.99986018  1.0
  Al  Al9  1  0.22735768  0.23043256  0.99986018  1.0
  Al  Al10  1  0.84035514  0.15964486  0.10082758  1.0
  Al  Al11  1  0.16607516  0.83392484  0.89721484  1.0
  Al  Al12  1  0.16607516  0.83392484  0.60278516  1.0
  Al  Al13  1  0.84035514  0.15964486  0.39917242  1.0
  Al  Al14  1  0.86070281  0.59252186  0.75000000  1.0
  Al  Al15  1  0.13535314  0.40501153  0.25000000  1.0
  Al  Al16  1  0.40747814  0.13929719  0.75000000  1.0
  Al  Al17  1  0.59498847  0.86464686  0.25000000  1.0
  Al  Al18  1  0.22064647  0.48092461  0.75000000  1.0
  Al  Al19  1  0.77799614  0.51774106  0.25000000  1.0
  Al  Al20  1  0.51907539  0.77935353  0.75000000  1.0
  Al  Al21  1  0.48225894  0.22200386  0.25000000  1.0
  Ru  Ru22  1  0.99995954  0.50485459  0.49721320  1.0
  Ru  Ru23  1  0.99995954  0.50485459  0.00278680  1.0
  Ru  Ru24  1  0.49514541  0.00004046  0.00278680  1.0
  Ru  Ru25  1  0.49514541  0.00004046  0.49721320  1.0