# generated using pymatgen
data_Ti5Al6MoRu12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29119751
_cell_length_b   6.06492556
_cell_length_c   12.84556421
_cell_angle_alpha   89.99998237
_cell_angle_beta   90.00007338
_cell_angle_gamma   89.99998925
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5Al6MoRu12
_chemical_formula_sum   'Ti5 Al6 Mo1 Ru12'
_cell_volume   334.31600082
_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  0.49999762  0.99999903  0.16886214  1.0
  Ti  Ti1  1  0.99999862  0.50000128  0.33462025  1.0
  Ti  Ti2  1  0.49999995  0.99999972  0.49998727  1.0
  Ti  Ti3  1  0.00000159  0.49999892  0.66536575  1.0
  Ti  Ti4  1  0.50000322  0.00000033  0.83114916  1.0
  Al  Al5  1  0.00000017  0.99999957  0.99999666  1.0
  Al  Al6  1  0.49999403  0.49999947  0.16844483  1.0
  Al  Al7  1  0.99999966  0.00000014  0.33333904  1.0
  Al  Al8  1  0.49999997  0.49999969  0.50000224  1.0
  Al  Al9  1  0.00000033  0.99999973  0.66666035  1.0
  Al  Al10  1  0.50000637  0.49999981  0.83155230  1.0
  Mo  Mo11  1  0.00000017  0.49999982  0.00001787  1.0
  Ru  Ru12  1  0.50000007  0.25210825  0.00001817  1.0
  Ru  Ru13  1  0.50000009  0.74789120  0.00001838  1.0
  Ru  Ru14  1  0.99999644  0.25051541  0.16521421  1.0
  Ru  Ru15  1  0.99999708  0.74948297  0.16521457  1.0
  Ru  Ru16  1  0.49999907  0.24985217  0.33301792  1.0
  Ru  Ru17  1  0.49999899  0.75014795  0.33301793  1.0
  Ru  Ru18  1  0.99999990  0.24958390  0.49998083  1.0
  Ru  Ru19  1  0.99999980  0.75041606  0.49998071  1.0
  Ru  Ru20  1  0.50000080  0.24984715  0.66696466  1.0
  Ru  Ru21  1  0.50000068  0.75015251  0.66696464  1.0
  Ru  Ru22  1  0.00000321  0.25052268  0.83480504  1.0
  Ru  Ru23  1  0.00000318  0.74947723  0.83480506  1.0