data_[Tl4Pd2Pb2F12]
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
  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 [6.3139]
_cell_length_b [5.1928]
_cell_length_c [13.7601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2829]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2PdPbF6]
_chemical_formula_sum '[Tl4 Pd2 Pb2 F12]'
_cell_volume [407.9330]
_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  4  0.2400  0.0763  0.2245  1.0
  Pd  Pd1  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  2  0.5000  0.0000  0.0000  1.0
  F  F3  4  0.1365  0.2281  0.4237  1.0
  F  F4  4  0.3035  0.6896  0.0705  1.0
  F  F5  4  0.3914  0.6499  0.3185  1.0
]