# generated using pymatgen
data_Ti3Nb(ReB2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95835472
_cell_length_b   5.95835472
_cell_length_c   3.21392282
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.68614890
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb(ReB2)2
_chemical_formula_sum   'Ti3 Nb1 Re2 B4'
_cell_volume   114.09894723
_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  0.32099047  0.82248801  0.50000000  1.0
  Ti  Ti1  1  0.18012732  0.31987268  0.50000000  1.0
  Ti  Ti2  1  0.67751199  0.17900953  0.50000000  1.0
  Nb  Nb3  1  0.82145653  0.67854347  0.50000000  1.0
  Re  Re4  1  0.49634962  0.49818351  0.00000000  1.0
  Re  Re5  1  0.00181649  0.00365038  0.00000000  1.0
  B  B6  1  0.11424051  0.60765962  0.00000000  1.0
  B  B7  1  0.60529058  0.89470942  0.00000000  1.0
  B  B8  1  0.38987709  0.11012291  0.00000000  1.0
  B  B9  1  0.89234038  0.38575949  0.00000000  1.0