data_[Tl2Pd4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7526]
_cell_length_b [6.6610]
_cell_length_c [4.1217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0423]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlPd2F8]
_chemical_formula_sum '[Tl2 Pd4 F16]'
_cell_volume [347.4807]
_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  0.0000  0.0000  1
  Pd  Pd1  4  0.2335  0.0000  0.7380  1
  F  F2  8  0.0949  0.1885  0.7209  1
  F  F3  4  0.1160  0.5000  0.2303  1
  F  F4  4  0.2136  0.0000  0.2326  1
]