data_NbTlPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   132.03
_cell_angle_beta   132.03
_cell_angle_gamma   70.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTlPb2
_chemical_formula_sum   'Nb1 Tl1 Pb2'
_cell_volume   107.45
_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  Tl3  1  0.0  0.37  0.39  1.0
  Pb  Pb1  1  0.37  0.0  0.39  1.0
  Pb  Pb2  1  0.0  0.0  0.77  1.0

data_NbTlPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   5.83
_cell_angle_alpha   113.99
_cell_angle_beta   113.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTlPb2
_chemical_formula_sum   'Nb1 Tl1 Pb2'
_cell_volume   107.45
_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  0.99  0.37  0.99  1.0
  Pb  Pb2  1  0.23  0.0  0.23  1.0
  Pb  Pb3  1  0.61  0.0  0.99  1.0

Nb Tl Pb Pb