# generated using pymatgen
data_Ti2NbB2Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25879965
_cell_length_b   9.25879965
_cell_length_c   3.00367773
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.35590350
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NbB2Ru5
_chemical_formula_sum   'Ti4 Nb2 B4 Ru10'
_cell_volume   257.47511744
_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  0.82487333  0.67512667  0.00000000  1.0
  Ti  Ti1  1  0.17512667  0.32487333  0.00000000  1.0
  Ti  Ti2  1  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti3  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb4  1  0.32267684  0.82267684  0.00000000  1.0
  Nb  Nb5  1  0.67732316  0.17732316  0.00000000  1.0
  B  B6  1  0.62555193  0.87444807  0.00000000  1.0
  B  B7  1  0.37444807  0.12555193  0.00000000  1.0
  B  B8  1  0.12176476  0.62176476  0.00000000  1.0
  B  B9  1  0.87823524  0.37823524  0.00000000  1.0
  Ru  Ru10  1  0.57266336  0.71468751  0.50000000  1.0
  Ru  Ru11  1  0.42733664  0.28531249  0.50000000  1.0
  Ru  Ru12  1  0.07016243  0.78423989  0.50000000  1.0
  Ru  Ru13  1  0.92983757  0.21576011  0.50000000  1.0
  Ru  Ru14  1  0.28423989  0.57016243  0.50000000  1.0
  Ru  Ru15  1  0.71576011  0.42983757  0.50000000  1.0
  Ru  Ru16  1  0.21468751  0.07266336  0.50000000  1.0
  Ru  Ru17  1  0.78531249  0.92733664  0.50000000  1.0
  Ru  Ru18  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru19  1  0.00000000  0.50000000  0.50000000  1.0