# generated using pymatgen
data_TiNb2(AlRu2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34219773
_cell_length_b   6.13113134
_cell_length_c   13.01325560
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99967846
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb2(AlRu2)3
_chemical_formula_sum   'Ti2 Nb4 Al6 Ru12'
_cell_volume   346.44649781
_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  0.00004648  0.49999900  0.66885390  1.0
  Ti  Ti1  1  0.50004210  0.00000000  0.83099402  1.0
  Nb  Nb2  1  0.99999541  0.49999900  0.99621884  1.0
  Nb  Nb3  1  0.49994075  0.00000000  0.16526247  1.0
  Nb  Nb4  1  0.99994752  0.49999900  0.33487822  1.0
  Nb  Nb5  1  0.50001498  0.00000000  0.50379340  1.0
  Al  Al6  1  0.00000363  0.00000000  0.99631881  1.0
  Al  Al7  1  0.49995802  0.49999900  0.16529306  1.0
  Al  Al8  1  0.99994069  0.00000000  0.33481805  1.0
  Al  Al9  1  0.50000313  0.49999900  0.50363097  1.0
  Al  Al10  1  0.00003560  0.00000000  0.66861836  1.0
  Al  Al11  1  0.50003837  0.49999900  0.83128668  1.0
  Ru  Ru12  1  0.49999866  0.24851774  0.99851453  1.0
  Ru  Ru13  1  0.49999866  0.75148126  0.99851453  1.0
  Ru  Ru14  1  0.99995300  0.24983419  0.16648706  1.0
  Ru  Ru15  1  0.99995300  0.75016581  0.16648706  1.0
  Ru  Ru16  1  0.49994975  0.25013988  0.33370576  1.0
  Ru  Ru17  1  0.49994975  0.74986112  0.33370576  1.0
  Ru  Ru18  1  0.00001542  0.25145236  0.50161304  1.0
  Ru  Ru19  1  0.00001542  0.74854764  0.50161304  1.0
  Ru  Ru20  1  0.50005650  0.25113880  0.66786339  1.0
  Ru  Ru21  1  0.50005650  0.74886220  0.66786339  1.0
  Ru  Ru22  1  0.00004481  0.24891407  0.83183283  1.0
  Ru  Ru23  1  0.00004481  0.75108593  0.83183283  1.0