data_NbTl2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   4.98
_cell_angle_alpha   102.7
_cell_angle_beta   102.7
_cell_angle_gamma   37.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTl2Tc
_chemical_formula_sum   'Nb1 Tl2 Tc1'
_cell_volume   79.08
_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  0.0  1.0
  Tl  Tl2  1  0.11  0.0  0.25  1.0
  Tl  Tl3  1  0.52  0.0  0.6  1.0
  Tc  Tc1  1  0.32  0.0  0.42  1.0

data_NbTl2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.98
_cell_length_c   5.17
_cell_angle_alpha   102.7
_cell_angle_beta   108.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTl2Tc
_chemical_formula_sum   'Nb1 Tl2 Tc1'
_cell_volume   79.08
_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  0.0  1.0
  Tl  Tl1  1  0.0  0.25  0.11  1.0
  Tl  Tl2  1  0.0  0.6  0.52  1.0
  Tc  Tc3  1  0.0  0.42  0.32  1.0

Nb Tl Tl Tc