# generated using pymatgen
data_Ti3Nb3(B2Ru5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28297304
_cell_length_b   9.28297304
_cell_length_c   3.00982425
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.72307601
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb3(B2Ru5)2
_chemical_formula_sum   'Ti3 Nb3 B4 Ru10'
_cell_volume   259.36432696
_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  0.82271472  0.67728528  0.00000000  1.0
  Ti  Ti1  1  0.50148435  0.50036717  0.00000000  1.0
  Ti  Ti2  1  0.99963283  0.99851565  0.00000000  1.0
  Nb  Nb3  1  0.17516801  0.32483199  0.00000000  1.0
  Nb  Nb4  1  0.32369097  0.82223017  0.00000000  1.0
  Nb  Nb5  1  0.67776983  0.17630903  0.00000000  1.0
  B  B6  1  0.62595239  0.87404761  0.00000000  1.0
  B  B7  1  0.37686446  0.12313554  0.00000000  1.0
  B  B8  1  0.12128655  0.62366803  0.00000000  1.0
  B  B9  1  0.87633197  0.37871345  0.00000000  1.0
  Ru  Ru10  1  0.57174548  0.71525905  0.50000000  1.0
  Ru  Ru11  1  0.42831278  0.28428372  0.50000000  1.0
  Ru  Ru12  1  0.07180665  0.78475290  0.50000000  1.0
  Ru  Ru13  1  0.92972891  0.21615377  0.50000000  1.0
  Ru  Ru14  1  0.28384623  0.57027109  0.50000000  1.0
  Ru  Ru15  1  0.71524710  0.42819335  0.50000000  1.0
  Ru  Ru16  1  0.21571628  0.07168722  0.50000000  1.0
  Ru  Ru17  1  0.78474095  0.92825452  0.50000000  1.0
  Ru  Ru18  1  0.50043626  0.99956374  0.50000000  1.0
  Ru  Ru19  1  0.99752328  0.50247672  0.50000000  1.0