data_Nb2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92
_cell_length_b   7.92
_cell_length_c   3.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Tl
_chemical_formula_sum   'Nb6 Tl3'
_cell_volume   181.62
_cell_formula_units_Z   3
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  0.21  0.0  0.67  1.0
  Nb  Nb1  1  0.9  0.91  0.67  1.0
  Nb  Nb2  1  0.86  0.95  0.67  1.0
  Nb  Nb3  1  0.02  0.0  0.0  1.0
  Nb  Nb4  1  0.49  0.35  0.0  1.0
  Nb  Nb5  1  0.45  0.51  0.0  1.0
  Tl  Tl6  1  0.0  0.57  0.67  1.0
  Tl  Tl7  1  0.96  0.29  0.67  1.0
  Tl  Tl8  1  0.0  0.0  0.0  1.0

data_Nb2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   7.92
_cell_length_c   7.92
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Tl
_chemical_formula_sum   'Nb6 Tl3'
_cell_volume   181.62
_cell_formula_units_Z   3
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  0.02  0.0  1.0
  Nb  Nb1  1  0.0  0.45  0.51  1.0
  Nb  Nb2  1  0.0  0.49  0.35  1.0
  Nb  Nb3  1  0.67  0.21  0.0  1.0
  Nb  Nb4  1  0.67  0.86  0.95  1.0
  Nb  Nb5  1  0.67  0.9  0.91  1.0
  Tl  Tl6  1  0.0  0.0  0.0  1.0
  Tl  Tl7  1  0.67  0.0  0.57  1.0
  Tl  Tl8  1  0.67  0.96  0.29  1.0

Nb Nb Nb Nb Nb Nb Tl Tl Tl