data_NaTlPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   5.59
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   99.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlPb2
_chemical_formula_sum   'Na1 Tl1 Pb2'
_cell_volume   124.85
_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
  Na  Na0  1  0.03  0.0  0.82  1.0
  Tl  Tl3  1  0.16  0.8  0.2  1.0
  Pb  Pb1  1  1.0  0.8  0.03  1.0
  Pb  Pb2  1  0.34  0.0  0.59  1.0

data_NaTlPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.59
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   99.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlPb2
_chemical_formula_sum   'Na1 Tl1 Pb2'
_cell_volume   124.85
_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
  Na  Na0  1  0.03  0.0  0.82  1.0
  Tl  Tl1  1  0.16  0.8  0.2  1.0
  Pb  Pb2  1  0.34  0.0  0.59  1.0
  Pb  Pb3  1  1.0  0.8  0.03  1.0

Na Tl Pb Pb