# generated using pymatgen
data_Ti5Al6SiRu12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26435819
_cell_length_b   6.05062748
_cell_length_c   12.74820655
_cell_angle_alpha   89.99992371
_cell_angle_beta   89.99923832
_cell_angle_gamma   90.00004495
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5Al6SiRu12
_chemical_formula_sum   'Ti5 Al6 Si1 Ru12'
_cell_volume   328.92977134
_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  0.49991107  0.49999900  0.16362924  1.0
  Ti  Ti1  1  0.99990660  0.00000000  0.33329569  1.0
  Ti  Ti2  1  0.50000000  0.49999900  0.50000000  1.0
  Ti  Ti3  1  0.00009140  1.00000000  0.66670431  1.0
  Ti  Ti4  1  0.50008893  0.49999900  0.83636976  1.0
  Al  Al5  1  0.00000000  0.49999900  0.00000000  1.0
  Al  Al6  1  0.49988814  0.00000000  0.17114246  1.0
  Al  Al7  1  0.99993040  0.49999900  0.32969712  1.0
  Al  Al8  1  0.50000000  0.00000000  0.50000000  1.0
  Al  Al9  1  0.00006960  0.49999900  0.67030188  1.0
  Al  Al10  1  0.50011186  1.00000000  0.82885854  1.0
  Si  Si11  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru12  1  0.50000000  0.23490340  0.00000000  1.0
  Ru  Ru13  1  0.50000000  0.76509760  1.00000000  1.0
  Ru  Ru14  1  0.99991111  0.24326220  0.16068824  1.0
  Ru  Ru15  1  0.99991111  0.75673680  0.16068824  1.0
  Ru  Ru16  1  0.49991854  0.25158185  0.33180663  1.0
  Ru  Ru17  1  0.49991854  0.74841715  0.33180663  1.0
  Ru  Ru18  1  1.00000000  0.25058868  0.50000000  1.0
  Ru  Ru19  1  0.00000000  0.74941132  0.50000000  1.0
  Ru  Ru20  1  0.50008146  0.25158185  0.66819437  1.0
  Ru  Ru21  1  0.50008146  0.74841715  0.66819437  1.0
  Ru  Ru22  1  0.00008889  0.24326120  0.83931176  1.0
  Ru  Ru23  1  0.00008889  0.75673580  0.83931176  1.0