# generated using pymatgen
data_Ti3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58274887
_cell_length_b   3.58922367
_cell_length_c   54.87911639
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb
_chemical_formula_sum   'Ti15 Nb5'
_cell_volume   902.679735832
_cell_formula_units_Z   5
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  Ti1  1  0.375650  0.524499  0.258746  1
  Ti  Ti2  1  0.862196  0.524425  0.284647  1
  Ti  Ti3  1  0.483805  1.024468  0.288230  1
  Ti  Ti4  1  0.658050  0.524134  0.353931  1
  Ti  Ti5  1  0.135340  0.524052  0.380481  1
  Ti  Ti6  1  0.516312  1.024180  0.383214  1
  Ti  Ti7  1  0.371968  0.532511  0.445222  1
  Ti  Ti8  1  0.898564  0.534461  0.473422  1
  Ti  Ti9  1  0.396375  1.037800  0.475011  1
  Ti  Ti10  1  0.405163  0.511760  0.507004  1
  Ti  Ti11  1  0.927275  0.516191  0.565814  1
  Ti  Ti12  1  0.414564  1.052294  0.555130  1
  Ti  Ti13  1  0.425296  0.544090  0.585270  1
  Ti  Ti14  1  0.924089  1.032156  0.665599  1
  Ti  Ti15  1  0.423248  0.532394  0.657371  1
  Nb  Nb16  1  0.948190  1.024540  0.233768  1
  Nb  Nb17  1  0.136076  1.024285  0.325941  1
  Nb  Nb18  1  0.851616  1.023027  0.422374  1
  Nb  Nb19  1  0.905070  0.924061  0.521454  1
  Nb  Nb20  1  0.921941  1.031412  0.616792  1
