# generated using pymatgen
data_Ti3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83596393
_cell_length_b   5.83596393
_cell_length_c   4.79590500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999922
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb
_chemical_formula_sum   'Ti6 Nb2'
_cell_volume   141.45763895
_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  0.16580900  0.33161800  0.25000000  1.0
  Ti  Ti1  1  0.66838200  0.83419100  0.25000000  1.0
  Ti  Ti2  1  0.16580900  0.83419100  0.25000000  1.0
  Ti  Ti3  1  0.83419100  0.66838200  0.75000000  1.0
  Ti  Ti4  1  0.33161800  0.16580900  0.75000000  1.0
  Ti  Ti5  1  0.83419100  0.16580900  0.75000000  1.0
  Nb  Nb6  1  0.33333300  0.66666700  0.75000000  1.0
  Nb  Nb7  1  0.66666700  0.33333300  0.25000000  1.0