# generated using pymatgen
data_Ti6NbAl5Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.30731974
_cell_length_b   6.10210208
_cell_length_c   12.88787679
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99871817
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6NbAl5Ru12
_chemical_formula_sum   'Ti6 Nb1 Al5 Ru12'
_cell_volume   338.74114885
_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  0.49991398  0.00000000  0.17649160  1.0
  Ti  Ti2  1  0.99990500  0.49999900  0.33664208  1.0
  Ti  Ti3  1  0.50000000  0.00000000  0.50000000  1.0
  Ti  Ti4  1  0.00009600  0.49999900  0.66335792  1.0
  Ti  Ti5  1  0.50008702  0.00000000  0.82350840  1.0
  Nb  Nb6  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al7  1  0.49990715  0.49999900  0.16784618  1.0
  Al  Al8  1  0.99989308  0.00000000  0.33548450  1.0
  Al  Al9  1  0.50000000  0.49999900  0.50000000  1.0
  Al  Al10  1  0.00010792  0.00000000  0.66451550  1.0
  Al  Al11  1  0.50009285  0.49999900  0.83215382  1.0
  Ru  Ru12  1  0.50000000  0.25209097  0.00000000  1.0
  Ru  Ru13  1  0.50000000  0.74790803  0.00000000  1.0
  Ru  Ru14  1  0.99991230  0.25026895  0.16641678  1.0
  Ru  Ru15  1  0.99991230  0.74973105  0.16641678  1.0
  Ru  Ru16  1  0.49990803  0.25162165  0.33368834  1.0
  Ru  Ru17  1  0.49990803  0.74837935  0.33368834  1.0
  Ru  Ru18  1  0.00000000  0.25052183  0.50000000  1.0
  Ru  Ru19  1  0.00000000  0.74947817  0.50000000  1.0
  Ru  Ru20  1  0.50008997  0.25162165  0.66631166  1.0
  Ru  Ru21  1  0.50008997  0.74837935  0.66631166  1.0
  Ru  Ru22  1  0.00008870  0.25026895  0.83358322  1.0
  Ru  Ru23  1  0.00008870  0.74973105  0.83358322  1.0