# generated using pymatgen
data_Ti6Al6CuRu11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27797761
_cell_length_b   6.07557004
_cell_length_c   12.79405752
_cell_angle_alpha   90.00487096
_cell_angle_beta   89.99981116
_cell_angle_gamma   90.00009966
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6Al6CuRu11
_chemical_formula_sum   'Ti6 Al6 Cu1 Ru11'
_cell_volume   332.53230056
_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
  Ti  Ti0  1  0.00000821  0.49387780  0.00365870  1.0
  Ti  Ti1  1  0.50005340  0.99892121  0.16689815  1.0
  Ti  Ti2  1  0.00005684  0.50096279  0.33331384  1.0
  Ti  Ti3  1  0.49999163  0.99886631  0.49975845  1.0
  Ti  Ti4  1  0.99994053  0.49389331  0.66301100  1.0
  Ti  Ti5  1  0.49993471  0.01406101  0.83333580  1.0
  Al  Al6  1  0.99999961  0.00029607  0.00096564  1.0
  Al  Al7  1  0.50006954  0.50092205  0.16616561  1.0
  Al  Al8  1  0.00006544  0.99896196  0.33337739  1.0
  Al  Al9  1  0.49999261  0.50079964  0.50046324  1.0
  Al  Al10  1  0.99994622  0.00038269  0.66569268  1.0
  Al  Al11  1  0.49995228  0.49837174  0.83340505  1.0
  Cu  Cu12  1  0.99994580  0.74965853  0.83340786  1.0
  Ru  Ru13  1  0.49999844  0.25057932  0.99865146  1.0
  Ru  Ru14  1  0.50000900  0.74991841  0.99478670  1.0
  Ru  Ru15  1  0.00005374  0.25015992  0.16613336  1.0
  Ru  Ru16  1  0.00005922  0.75047536  0.16481180  1.0
  Ru  Ru17  1  0.50006221  0.25005976  0.33328968  1.0
  Ru  Ru18  1  0.50006286  0.74951163  0.33329752  1.0
  Ru  Ru19  1  0.99998800  0.25014606  0.50046903  1.0
  Ru  Ru20  1  0.99999392  0.75043611  0.50183602  1.0
  Ru  Ru21  1  0.49994332  0.25059469  0.66802181  1.0
  Ru  Ru22  1  0.49993741  0.74991645  0.67189893  1.0
  Ru  Ru23  1  0.99993605  0.24822618  0.83334930  1.0