data_[Pa2Tl1Pb9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7923]
_cell_length_b [4.7923]
_cell_length_c [15.2543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pa2TlPb9]
_chemical_formula_sum '[Pa2 Tl1 Pb9]'
_cell_volume [350.3264]
_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
[
  Pa  Pa0  2  0.0000  0.0000  0.3485  1
  Tl  Tl1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  4  0.0000  0.5000  0.1749  1
  Pb  Pb3  2  0.0000  0.5000  0.5000  1
  Pb  Pb4  2  0.5000  0.5000  0.3356  1
  Pb  Pb5  1  0.5000  0.5000  0.0000  1
]