data_Nb2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   146.56
_cell_angle_beta   132.02
_cell_angle_gamma   59.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Tl
_chemical_formula_sum   'Nb2 Tl1'
_cell_volume   59.22
_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
  Nb  Nb0  1  0.0  0.0  0.04  1.0
  Nb  Nb1  1  0.0  0.0  0.09  1.0
  Tl  Tl2  1  0.0  0.0  0.0  1.0

data_Nb2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.28
_cell_length_c   5.27
_cell_angle_alpha   113.99
_cell_angle_beta   106.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Tl
_chemical_formula_sum   'Nb2 Tl1'
_cell_volume   59.22
_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
  Nb  Nb0  1  0.91  0.91  0.91  1.0
  Nb  Nb1  1  0.96  0.96  0.96  1.0
  Tl  Tl2  1  0.0  0.0  0.0  1.0

Nb Nb Tl