# generated using pymatgen
data_Ta5Ti(AlRu2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34221754
_cell_length_b   6.13388323
_cell_length_c   13.02212781
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99987470
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5Ti(AlRu2)6
_chemical_formula_sum   'Ta5 Ti1 Al6 Ru12'
_cell_volume   346.83988573
_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
  Ta  Ta0  1  0.00001280  0.00000000  0.99782089  1.0
  Ta  Ta1  1  0.49985814  0.49999900  0.16531431  1.0
  Ta  Ta2  1  0.99994324  0.00000000  0.33339448  1.0
  Ta  Ta3  1  0.49999591  0.49999900  0.50133399  1.0
  Ta  Ta4  1  0.00011706  0.00000000  0.66880770  1.0
  Ti  Ti5  1  0.50011257  0.49999900  0.83329598  1.0
  Al  Al6  1  0.99998698  0.49999900  0.99813121  1.0
  Al  Al7  1  0.49989275  0.00000000  0.16534885  1.0
  Al  Al8  1  0.99985613  0.49999900  0.33335395  1.0
  Al  Al9  1  0.50000110  0.00000000  0.50123221  1.0
  Al  Al10  1  0.00004679  0.49999900  0.66863365  1.0
  Al  Al11  1  0.50015053  0.00000000  0.83332426  1.0
  Ru  Ru12  1  0.49999853  0.25082832  0.99948985  1.0
  Ru  Ru13  1  0.49999853  0.74917268  0.99948985  1.0
  Ru  Ru14  1  0.99989484  0.24995108  0.16657947  1.0
  Ru  Ru15  1  0.99989484  0.75004692  0.16657947  1.0
  Ru  Ru16  1  0.49989704  0.24986917  0.33335715  1.0
  Ru  Ru17  1  0.49989704  0.75012983  0.33335715  1.0
  Ru  Ru18  1  0.00000015  0.24996432  0.50013705  1.0
  Ru  Ru19  1  0.00000015  0.75003568  0.50013705  1.0
  Ru  Ru20  1  0.50011572  0.25083367  0.66713819  1.0
  Ru  Ru21  1  0.50011572  0.74916533  0.66713819  1.0
  Ru  Ru22  1  0.00010623  0.25151353  0.83330355  1.0
  Ru  Ru23  1  0.00010623  0.74848447  0.83330355  1.0