data_Ti2NbTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.48
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   102.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NbTl
_chemical_formula_sum   'Ti2 Nb1 Tl1'
_cell_volume   76.07
_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  Ti1  1  0.15  0.24  0.24  1.0
  Ti  Ti2  1  0.56  0.24  0.45  1.0
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.85  0.0  0.85  1.0

data_Ti2NbTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.48
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   102.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NbTl
_chemical_formula_sum   'Ti2 Nb1 Tl1'
_cell_volume   76.07
_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  0.15  0.24  0.24  1.0
  Ti  Ti1  1  0.56  0.24  0.45  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.85  0.0  0.85  1.0

Ti Ti Nb Tl
Ti Ti Nb Tl 0 2 o o o 0 1 o o o 2 3 - o - 