# generated using pymatgen
data_Ti8Al14SiRu7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.58930026
_cell_length_b   8.58930025
_cell_length_c   8.58930032
_cell_angle_alpha   120.11700384
_cell_angle_beta   119.92599226
_cell_angle_gamma   89.96285175
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti8Al14SiRu7
_chemical_formula_sum   'Ti8 Al14 Si1 Ru7'
_cell_volume   447.93561326
_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  0.79722521  0.29054836  0.08001434  1.0
  Ti  Ti1  1  0.21053402  0.29054836  0.49332315  1.0
  Ti  Ti2  1  0.20649723  0.70649723  0.50000000  1.0
  Ti  Ti3  1  0.21053402  0.71721087  0.91998566  1.0
  Ti  Ti4  1  0.79722521  0.71721087  0.50667685  1.0
  Ti  Ti5  1  0.78372375  0.28372375  0.50000000  1.0
  Ti  Ti6  1  0.37912260  0.11916707  0.74004447  1.0
  Ti  Ti7  1  0.37912260  0.63907813  0.25995553  1.0
  Al  Al8  1  0.15929435  0.34063520  0.18134086  1.0
  Al  Al9  1  0.15929435  0.97795349  0.81865914  1.0
  Al  Al10  1  0.15553551  0.34405736  0.81147815  1.0
  Al  Al11  1  0.53257921  0.34405736  0.18852185  1.0
  Al  Al12  1  0.84314810  0.65636399  0.81321789  1.0
  Al  Al13  1  0.84314810  0.02993021  0.18678211  1.0
  Al  Al14  1  0.84089715  0.65741812  0.18347803  1.0
  Al  Al15  1  0.47393908  0.65741812  0.81652197  1.0
  Al  Al16  1  0.37949544  0.12016696  0.25932848  1.0
  Al  Al17  1  0.86083948  0.12016696  0.74067152  1.0
  Al  Al18  1  0.61965884  0.87697476  0.25731592  1.0
  Al  Al19  1  0.61965884  0.36234193  0.74268408  1.0
  Al  Al20  1  0.62109756  0.87863102  0.74246755  1.0
  Al  Al21  1  0.13616247  0.87863102  0.25753245  1.0
  Si  Si22  1  0.99536519  0.49536519  0.50000000  1.0
  Ru  Ru23  1  0.99983781  0.00002990  0.50068327  1.0
  Ru  Ru24  1  0.49934663  0.00002990  0.00019209  1.0
  Ru  Ru25  1  0.49856514  0.49856514  1.00000000  1.0
  Ru  Ru26  1  0.49934663  0.49915454  0.49931673  1.0
  Ru  Ru27  1  0.99983781  0.49915454  0.99980791  1.0
  Ru  Ru28  1  0.00022395  0.00022395  1.00000000  1.0
  Ru  Ru29  1  0.49874270  0.99874270  0.50000000  1.0