data_[Tl2Pb4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [13.0578]
_cell_length_b [4.0679]
_cell_length_c [7.3454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlPb2F8]
_chemical_formula_sum '[Tl2 Pb4 F16]'
_cell_volume [382.1428]
_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
[
  Tl  Tl0  2  0.0000  0.5000  0.0000  1
  Pb  Pb1  4  0.2383  0.5000  0.7356  1
  F  F2  4  0.0555  0.5000  0.7490  1
  F  F3  4  0.0775  0.0000  0.1370  1
  F  F4  4  0.1935  0.0000  0.5543  1
  F  F5  4  0.2003  0.5000  0.0797  1
]