# generated using pymatgen
data_Y9Th(Al2Ru3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38333694
_cell_length_b   8.33590252
_cell_length_c   8.33590247
_cell_angle_alpha   109.09125623
_cell_angle_beta   109.54780768
_cell_angle_gamma   109.54369212
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y9Th(Al2Ru3)2
_chemical_formula_sum   'Y9 Th1 Al4 Ru6'
_cell_volume   449.70209715
_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
  Y  Y0  1  0.75000000  0.81797903  0.06797903  1.0
  Y  Y1  1  0.43223110  0.25204652  0.68316231  1.0
  Y  Y2  1  0.67969679  0.43240465  0.24888143  1.0
  Y  Y3  1  0.06776890  0.75093121  0.81981541  1.0
  Y  Y4  1  0.82030321  0.06918464  0.75270786  1.0
  Y  Y5  1  0.21610795  0.21349241  0.21617415  1.0
  Y  Y6  1  0.50506138  0.00163306  0.28738168  1.0
  Y  Y7  1  0.28389205  0.50006520  0.99738546  1.0
  Y  Y8  1  0.99493862  0.28232030  0.49657268  1.0
  Th  Th9  1  0.25000000  0.68937377  0.43937377  1.0
  Al  Al10  1  0.59307211  0.58775218  0.58734396  1.0
  Al  Al11  1  0.50340647  0.00653993  0.91899000  1.0
  Al  Al12  1  0.90692789  0.49427185  0.99468007  1.0
  Al  Al13  1  0.99659353  0.91558253  0.50313346  1.0
  Ru  Ru14  1  0.25000000  0.12060105  0.87060105  1.0
  Ru  Ru15  1  0.75000000  0.37843231  0.62843231  1.0
  Ru  Ru16  1  0.87285653  0.24799658  0.12254246  1.0
  Ru  Ru17  1  0.12531734  0.85746208  0.25755912  1.0
  Ru  Ru18  1  0.62714247  0.74968493  0.37513905  1.0
  Ru  Ru19  1  0.37468266  0.63224178  0.73214574  1.0