# generated using pymatgen
data_Th4Al18(PdRu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67167607
_cell_length_b   7.67166186
_cell_length_c   9.50774506
_cell_angle_alpha   90.04714916
_cell_angle_beta   90.04713616
_cell_angle_gamma   119.30432669
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th4Al18(PdRu)3
_chemical_formula_sum   'Th4 Al18 Pd3 Ru3'
_cell_volume   487.96563710
_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  0.99337985  0.67296815  0.24806538  1.0
  Th  Th1  1  0.00602863  0.32732938  0.75056957  1.0
  Th  Th2  1  0.67267162  0.99397237  0.24943043  1.0
  Th  Th3  1  0.32703185  0.00661915  0.75193462  1.0
  Al  Al4  1  0.13222418  0.13388686  0.24931835  1.0
  Al  Al5  1  0.86611314  0.86777682  0.75068165  1.0
  Al  Al6  1  0.99998798  0.33038804  0.07355003  1.0
  Al  Al7  1  0.99047614  0.66253805  0.92434956  1.0
  Al  Al8  1  0.99376248  0.66880791  0.57645912  1.0
  Al  Al9  1  0.33119209  0.00623752  0.42353988  1.0
  Al  Al10  1  0.00624910  0.33243605  0.42436001  1.0
  Al  Al11  1  0.66756395  0.99375090  0.57563999  1.0
  Al  Al12  1  0.66961196  0.00001202  0.92644997  1.0
  Al  Al13  1  0.33746195  0.00952386  0.07565044  1.0
  Al  Al14  1  0.33283792  0.33289655  0.54545989  1.0
  Al  Al15  1  0.66710345  0.66716208  0.45454011  1.0
  Al  Al16  1  0.66938479  0.66391967  0.03814854  1.0
  Al  Al17  1  0.33608033  0.33061521  0.96185146  1.0
  Al  Al18  1  0.34275234  0.54520156  0.24940804  1.0
  Al  Al19  1  0.65499224  0.45287430  0.75495237  1.0
  Al  Al20  1  0.54712470  0.34500776  0.24504763  1.0
  Al  Al21  1  0.45479844  0.65724666  0.75059196  1.0
  Pd  Pd22  1  0.32746470  0.67253630  1.00000000  1.0
  Pd  Pd23  1  0.32681947  0.67318153  0.50000000  1.0
  Pd  Pd24  1  0.67253959  0.32746041  0.50000000  1.0
  Ru  Ru25  1  0.67334463  0.32665437  0.00000000  1.0
  Ru  Ru26  1  0.00114028  0.99885872  1.00000000  1.0
  Ru  Ru27  1  0.99985921  0.00014079  0.50000000  1.0