# generated using pymatgen
data_Ti3Al3(CuRu2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26441539
_cell_length_b   6.09026818
_cell_length_c   12.75057894
_cell_angle_alpha   89.99996806
_cell_angle_beta   90.00006927
_cell_angle_gamma   89.99992694
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Al3(CuRu2)2
_chemical_formula_sum   'Ti6 Al6 Cu4 Ru8'
_cell_volume   331.15081118
_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  0.00004038  0.99999946  0.00490877  1.0
  Ti  Ti1  1  0.50007743  0.49999836  0.16707906  1.0
  Ti  Ti2  1  0.00007215  0.99999992  0.33291445  1.0
  Ti  Ti3  1  0.50003370  0.49999869  0.49506994  1.0
  Ti  Ti4  1  0.99992354  0.99999908  0.66215121  1.0
  Ti  Ti5  1  0.49992407  0.49999921  0.83782988  1.0
  Al  Al6  1  0.00003673  0.49999897  0.00125191  1.0
  Al  Al7  1  0.50008556  0.99999897  0.16696526  1.0
  Al  Al8  1  0.00006542  0.50000575  0.33302719  1.0
  Al  Al9  1  0.50002648  0.99999770  0.49874761  1.0
  Al  Al10  1  0.99988654  0.49999821  0.66970965  1.0
  Al  Al11  1  0.49988113  0.00000094  0.83029671  1.0
  Cu  Cu12  1  0.49988414  0.25003447  0.66327061  1.0
  Cu  Cu13  1  0.49989079  0.74996394  0.66327074  1.0
  Cu  Cu14  1  0.99988884  0.24998833  0.83677509  1.0
  Cu  Cu15  1  0.99988154  0.75001257  0.83677504  1.0
  Ru  Ru16  1  0.50003096  0.25088381  0.99411531  1.0
  Ru  Ru17  1  0.50002999  0.74911465  0.99411533  1.0
  Ru  Ru18  1  0.00007220  0.24966181  0.16501291  1.0
  Ru  Ru19  1  0.00007117  0.75033546  0.16501330  1.0
  Ru  Ru20  1  0.50006678  0.25033209  0.33496991  1.0
  Ru  Ru21  1  0.50006775  0.74966605  0.33496990  1.0
  Ru  Ru22  1  0.00002397  0.24910971  0.50587815  1.0
  Ru  Ru23  1  0.00002475  0.75088786  0.50587807  1.0