data_Ti2NbSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.15
_cell_angle_alpha   99.23
_cell_angle_beta   99.23
_cell_angle_gamma   35.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NbSn
_chemical_formula_sum   'Ti2 Nb1 Sn1'
_cell_volume   74.19
_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  Ti2  1  0.97  0.0  0.28  1.0
  Ti  Ti3  1  0.69  0.0  0.8  1.0
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.33  0.0  0.54  1.0

data_Ti2NbSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.0
_cell_length_c   5.15
_cell_angle_alpha   99.23
_cell_angle_beta   90.0
_cell_angle_gamma   107.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NbSn
_chemical_formula_sum   'Ti2 Nb1 Sn1'
_cell_volume   74.19
_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  0.0  0.03  0.72  1.0
  Ti  Ti1  1  0.0  0.31  0.2  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.67  0.46  1.0

Ti Ti Nb Sn