# generated using pymatgen
data_LiTi6Al6Ru11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28576491
_cell_length_b   6.08432233
_cell_length_c   12.82680161
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00008147
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi6Al6Ru11
_chemical_formula_sum   'Li1 Ti6 Al6 Ru11'
_cell_volume   334.47136000
_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
  Li  Li0  1  0.50000000  0.25118616  0.00000000  1.0
  Ti  Ti1  1  0.00000000  0.98238444  0.00000000  1.0
  Ti  Ti2  1  0.49999577  0.50761970  0.17185062  1.0
  Ti  Ti3  1  0.99999625  0.00173957  0.33370452  1.0
  Ti  Ti4  1  0.50000000  0.49839813  0.50000000  1.0
  Ti  Ti5  1  0.00000175  0.00173957  0.66629548  1.0
  Ti  Ti6  1  0.50000423  0.50761970  0.82814838  1.0
  Al  Al7  1  0.00000000  0.50393410  0.00000000  1.0
  Al  Al8  1  0.49999812  0.99868240  0.16969365  1.0
  Al  Al9  1  0.99999625  0.49978690  0.33349694  1.0
  Al  Al10  1  0.50000000  0.99929649  0.50000000  1.0
  Al  Al11  1  0.00000375  0.49978690  0.66650206  1.0
  Al  Al12  1  0.50000188  0.99868240  0.83030735  1.0
  Ru  Ru13  1  0.50000000  0.75352411  0.00000000  1.0
  Ru  Ru14  1  0.99999699  0.25074650  0.16219230  1.0
  Ru  Ru15  1  0.99999802  0.74930882  0.16544113  1.0
  Ru  Ru16  1  0.49999745  0.24927152  0.33266131  1.0
  Ru  Ru17  1  0.49999743  0.74915123  0.33308852  1.0
  Ru  Ru18  1  0.00000000  0.24965789  0.50000000  1.0
  Ru  Ru19  1  0.00000000  0.74899342  0.50000000  1.0
  Ru  Ru20  1  0.50000255  0.24927152  0.66733969  1.0
  Ru  Ru21  1  0.50000257  0.74915123  0.66691248  1.0
  Ru  Ru22  1  0.00000301  0.25074650  0.83780770  1.0
  Ru  Ru23  1  0.00000198  0.74930882  0.83455887  1.0