data_[Tl2Cu4Pb2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.6118]
_cell_length_b [5.6118]
_cell_length_c [11.1763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [TlCu2PbF8]
_chemical_formula_sum '[Tl2 Cu4 Pb2 F16]'
_cell_volume [351.9635]
_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  1.0
  Cu  Cu1  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  2  0.0000  0.5000  0.2500  1.0
  Pb  Pb3  2  0.0000  0.5000  0.7500  1.0
  F  F4  8  0.1374  0.7907  0.1769  1.0
  F  F5  8  0.1717  0.2823  0.5615  1.0
]