# generated using pymatgen
data_Ti3(NbB3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.39414393
_cell_length_b   11.39414385
_cell_length_c   3.28580021
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   164.47182695
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3(NbB3)2
_chemical_formula_sum   'Ti3 Nb2 B6'
_cell_volume   114.20172687
_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  0.00051476  0.99948524  0.00000000  1.0
  Ti  Ti1  1  0.61288311  0.38711689  0.00000000  1.0
  Ti  Ti2  1  0.80539051  0.19460949  0.50000000  1.0
  Nb  Nb3  1  0.38570446  0.61429554  0.00000000  1.0
  Nb  Nb4  1  0.19321543  0.80678457  0.50000000  1.0
  B  B5  1  0.92016716  0.07983284  0.50000000  1.0
  B  B6  1  0.08029613  0.91970387  0.50000000  1.0
  B  B7  1  0.72848281  0.27151719  0.00000000  1.0
  B  B8  1  0.27198036  0.72801964  0.00000000  1.0
  B  B9  1  0.53954716  0.46045284  0.50000000  1.0
  B  B10  1  0.46181813  0.53818187  0.50000000  1.0