[CIF]
data_Ti2NbFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18765045
_cell_length_b   5.18765045
_cell_length_c   5.18765045
_cell_angle_alpha   146.04800912
_cell_angle_beta   128.13364537
_cell_angle_gamma   63.44839279
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NbFe
_chemical_formula_sum   'Ti2 Nb1 Fe1'
_cell_volume   60.65039282
_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
  Fe  Fe0  1  0.00000000  0.00000000  0.00000000  1
  Nb  Nb1  1  -0.00000000  -0.00000000  4.41255905  1
  Ti  Ti2  1  1.51464363  -0.00000000  2.02326123  1
  Ti  Ti3  1  0.00000000  2.26867682  2.38929782  1
[/CIF]
