data_[Ba2Tl4Pb2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6736]
_cell_length_b [6.9828]
_cell_length_c [11.7486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaTl2PbF6]
_chemical_formula_sum '[Ba2 Tl4 Pb2 F12]'
_cell_volume [450.3874]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  2  0.5000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.2411  0.0380  0.2518  1.0
  Pb  Pb2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.1140  0.1971  0.9384  1.0
  F  F4  4  0.2538  0.6818  0.9431  1.0
  F  F5  4  0.3632  0.0459  0.7428  1.0
]