# generated using pymatgen
data_TiAl3(MoRu3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29508707
_cell_length_b   6.07094862
_cell_length_c   12.88521743
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl3(MoRu3)2
_chemical_formula_sum   'Ti2 Al6 Mo4 Ru12'
_cell_volume   335.98530316
_cell_formula_units_Z   2
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  0.00010777  0.49999900  0.66838226  1.0
  Ti  Ti1  1  0.50010777  0.00000000  0.83161774  1.0
  Al  Al2  1  0.00000380  0.00000000  0.99747868  1.0
  Al  Al3  1  0.49986736  0.49999900  0.16597319  1.0
  Al  Al4  1  0.99986836  0.00000000  0.33402681  1.0
  Al  Al5  1  0.50000380  0.49999900  0.50252132  1.0
  Al  Al6  1  0.00013664  0.00000000  0.66896660  1.0
  Al  Al7  1  0.50013664  0.49999900  0.83103340  1.0
  Mo  Mo8  1  0.00000622  0.49999900  0.99750308  1.0
  Mo  Mo9  1  0.49988930  0.00000000  0.16607549  1.0
  Mo  Mo10  1  0.99988930  0.49999900  0.33392451  1.0
  Mo  Mo11  1  0.50000622  0.00000000  0.50249692  1.0
  Ru  Ru12  1  0.50000416  0.25077721  0.00138935  1.0
  Ru  Ru13  1  0.50000416  0.74922179  0.00138935  1.0
  Ru  Ru14  1  0.99989244  0.24944998  0.16707181  1.0
  Ru  Ru15  1  0.99989244  0.75055002  0.16707181  1.0
  Ru  Ru16  1  0.49989144  0.25055102  0.33292819  1.0
  Ru  Ru17  1  0.49989144  0.74944998  0.33292819  1.0
  Ru  Ru18  1  0.00000416  0.24922179  0.49861065  1.0
  Ru  Ru19  1  0.00000416  0.75077821  0.49861065  1.0
  Ru  Ru20  1  0.50009787  0.24868300  0.66530929  1.0
  Ru  Ru21  1  0.50009787  0.75131800  0.66530929  1.0
  Ru  Ru22  1  0.00009987  0.25131800  0.83469071  1.0
  Ru  Ru23  1  0.00009987  0.74868200  0.83469071  1.0