# generated using pymatgen
data_Ti3Al(SiRu3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24446696
_cell_length_b   5.99771918
_cell_length_c   12.72303601
_cell_angle_alpha   90.00029375
_cell_angle_beta   90.00038708
_cell_angle_gamma   89.99682166
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Al(SiRu3)2
_chemical_formula_sum   'Ti6 Al2 Si4 Ru12'
_cell_volume   323.89186519
_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  0.99999460  0.50000919  0.00025083  1.0
  Ti  Ti1  1  0.49991922  0.99999260  0.16651136  1.0
  Ti  Ti2  1  0.99991008  0.49999845  0.33368291  1.0
  Ti  Ti3  1  0.49999398  0.99999326  0.50056708  1.0
  Ti  Ti4  1  0.00008211  0.50000604  0.66600451  1.0
  Ti  Ti5  1  0.50008769  0.99999997  0.83297465  1.0
  Al  Al6  1  0.99999927  0.00000856  0.99975922  1.0
  Al  Al7  1  0.49994110  0.49999291  0.16691452  1.0
  Si  Si8  1  0.99991360  0.00000501  0.33326491  1.0
  Si  Si9  1  0.49999191  0.49999777  0.49996928  1.0
  Si  Si10  1  0.00007627  0.00000507  0.66665185  1.0
  Si  Si11  1  0.50008767  0.49999415  0.83339310  1.0
  Ru  Ru12  1  0.50006328  0.25186587  0.99723830  1.0
  Ru  Ru13  1  0.49994392  0.74814188  0.99723617  1.0
  Ru  Ru14  1  0.99987476  0.24811907  0.16954321  1.0
  Ru  Ru15  1  0.99997205  0.75187532  0.16954550  1.0
  Ru  Ru16  1  0.49993928  0.24810335  0.33703647  1.0
  Ru  Ru17  1  0.49989161  0.75189116  0.33703291  1.0
  Ru  Ru18  1  0.99997785  0.24948716  0.50098775  1.0
  Ru  Ru19  1  0.00000875  0.75051399  0.50098683  1.0
  Ru  Ru20  1  0.50009284  0.25049178  0.66561380  1.0
  Ru  Ru21  1  0.50005660  0.74950435  0.66561315  1.0
  Ru  Ru22  1  0.00006512  0.25192647  0.82961005  1.0
  Ru  Ru23  1  0.00011443  0.74807861  0.82961165  1.0