# generated using pymatgen
data_TiNb5(B2Ru5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37654961
_cell_length_b   9.37654961
_cell_length_c   3.00709565
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb5(B2Ru5)2
_chemical_formula_sum   'Ti1 Nb5 B4 Ru10'
_cell_volume   264.38289478
_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  0.50000000  0.50000000  0.00000000  1.0
  Nb  Nb1  1  0.82101396  0.67488462  0.00000000  1.0
  Nb  Nb2  1  0.17898604  0.32511538  0.00000000  1.0
  Nb  Nb3  1  0.32511538  0.82101396  0.00000000  1.0
  Nb  Nb4  1  0.67488462  0.17898604  0.00000000  1.0
  Nb  Nb5  1  0.00000000  0.00000000  0.00000000  1.0
  B  B6  1  0.61857948  0.87398400  0.00000000  1.0
  B  B7  1  0.38142052  0.12601600  0.00000000  1.0
  B  B8  1  0.12601600  0.61857948  0.00000000  1.0
  B  B9  1  0.87398400  0.38142052  0.00000000  1.0
  Ru  Ru10  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru11  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru12  1  0.56876223  0.71574613  0.50000000  1.0
  Ru  Ru13  1  0.43123777  0.28425387  0.50000000  1.0
  Ru  Ru14  1  0.07175688  0.78026825  0.50000000  1.0
  Ru  Ru15  1  0.92824312  0.21973175  0.50000000  1.0
  Ru  Ru16  1  0.28425387  0.56876223  0.50000000  1.0
  Ru  Ru17  1  0.71574613  0.43123777  0.50000000  1.0
  Ru  Ru18  1  0.21973175  0.07175688  0.50000000  1.0
  Ru  Ru19  1  0.78026825  0.92824312  0.50000000  1.0