# generated using pymatgen
data_TiNb3(ReB2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01613892
_cell_length_b   6.01613892
_cell_length_c   3.28790653
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.69953795
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb3(ReB2)2
_chemical_formula_sum   'Ti1 Nb3 Re2 B4'
_cell_volume   119.00061448
_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  0.67677927  0.17677927  0.50000000  1.0
  Nb  Nb1  1  0.82288286  0.67586076  0.50000000  1.0
  Nb  Nb2  1  0.32449557  0.82449557  0.50000000  1.0
  Nb  Nb3  1  0.17586076  0.32288286  0.50000000  1.0
  Re  Re4  1  0.50174427  0.49625318  0.00000000  1.0
  Re  Re5  1  0.99625318  0.00174427  0.00000000  1.0
  B  B6  1  0.11120076  0.61120076  0.00000000  1.0
  B  B7  1  0.61243423  0.89375284  0.00000000  1.0
  B  B8  1  0.39375284  0.11243423  0.00000000  1.0
  B  B9  1  0.88459627  0.38459627  0.00000000  1.0