# generated using pymatgen
data_Ti3Al3PdRu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29364459
_cell_length_b   6.10478301
_cell_length_c   12.82087542
_cell_angle_alpha   90.00013012
_cell_angle_beta   89.99970128
_cell_angle_gamma   89.99981683
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Al3PdRu5
_chemical_formula_sum   'Ti6 Al6 Pd2 Ru10'
_cell_volume   336.05781956
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.00002740  0.99999900  0.00928545  1.0
  Ti  Ti1  1  0.50007988  0.50000000  0.16775945  1.0
  Ti  Ti2  1  0.00007385  0.00000100  0.33330484  1.0
  Ti  Ti3  1  0.49999460  0.49999900  0.49888299  1.0
  Ti  Ti4  1  0.99993021  0.00000000  0.65744013  1.0
  Ti  Ti5  1  0.49991573  0.50000000  0.83340056  1.0
  Al  Al6  1  0.00001432  0.50000000  0.00440335  1.0
  Al  Al7  1  0.50007297  0.00000000  0.16713141  1.0
  Al  Al8  1  0.00008109  0.50000000  0.33326826  1.0
  Al  Al9  1  0.49998466  1.00000000  0.49958468  1.0
  Al  Al10  1  0.99992684  0.50000100  0.66222931  1.0
  Al  Al11  1  0.49992241  1.00000000  0.83331483  1.0
  Pd  Pd12  1  0.99992133  0.24961889  0.83334670  1.0
  Pd  Pd13  1  0.99992133  0.75038011  0.83334770  1.0
  Ru  Ru14  1  0.50001280  0.24984011  0.99667436  1.0
  Ru  Ru15  1  0.50001080  0.75015989  0.99667336  1.0
  Ru  Ru16  1  0.00007853  0.24966125  0.16602582  1.0
  Ru  Ru17  1  0.00007653  0.75033975  0.16602582  1.0
  Ru  Ru18  1  0.50006705  0.24970936  0.33329691  1.0
  Ru  Ru19  1  0.50006705  0.75029064  0.33329691  1.0
  Ru  Ru20  1  0.99999271  0.24964888  0.50058706  1.0
  Ru  Ru21  1  0.99999271  0.75035112  0.50058606  1.0
  Ru  Ru22  1  0.49991911  0.24986875  0.67006652  1.0
  Ru  Ru23  1  0.49992111  0.75013225  0.67006652  1.0