# generated using pymatgen
data_Ti6Al5MoRu12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.30361495
_cell_length_b   6.08136047
_cell_length_c   12.86362789
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99882920
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6Al5MoRu12
_chemical_formula_sum   'Ti6 Al5 Mo1 Ru12'
_cell_volume   336.66473092
_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  0.00000000  0.49999900  0.00000000  1.0
  Ti  Ti1  1  0.49991764  0.00000000  0.17554513  1.0
  Ti  Ti2  1  0.99989334  0.49999900  0.33665799  1.0
  Ti  Ti3  1  0.50000000  0.00000000  0.50000000  1.0
  Ti  Ti4  1  0.00010766  0.49999900  0.66334201  1.0
  Ti  Ti5  1  0.50008336  0.00000000  0.82445487  1.0
  Al  Al6  1  0.49992232  0.49999900  0.16758645  1.0
  Al  Al7  1  0.99991745  0.00000000  0.33493054  1.0
  Al  Al8  1  0.50000000  0.49999900  0.50000000  1.0
  Al  Al9  1  0.00008355  0.00000000  0.66506946  1.0
  Al  Al10  1  0.50007768  0.49999900  0.83241355  1.0
  Mo  Mo11  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru12  1  0.50000000  0.24776685  0.00000000  1.0
  Ru  Ru13  1  0.50000000  0.75223215  0.00000000  1.0
  Ru  Ru14  1  0.99992264  0.24818610  0.16328986  1.0
  Ru  Ru15  1  0.99992264  0.75181390  0.16328986  1.0
  Ru  Ru16  1  0.49989172  0.25136759  0.33260062  1.0
  Ru  Ru17  1  0.49989172  0.74863341  0.33260062  1.0
  Ru  Ru18  1  0.00000000  0.25049422  0.50000000  1.0
  Ru  Ru19  1  0.00000000  0.74950578  0.50000000  1.0
  Ru  Ru20  1  0.50010628  0.25136759  0.66739938  1.0
  Ru  Ru21  1  0.50010628  0.74863341  0.66739938  1.0
  Ru  Ru22  1  0.00007836  0.24818610  0.83671014  1.0
  Ru  Ru23  1  0.00007836  0.75181390  0.83671014  1.0