data_[Tl2Cu1Pb1F6]
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 [P-1]
_cell_length_a [6.0639]
_cell_length_b [6.0832]
_cell_length_c [6.4367]
_cell_angle_alpha [116.6279]
_cell_angle_beta [117.7142]
_cell_angle_gamma [90.1412]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2CuPbF6]
_chemical_formula_sum '[Tl2 Cu1 Pb1 F6]'
_cell_volume [181.1091]
_cell_formula_units_Z [1]
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  0.2416  0.7655  0.5025  1.0
  Cu  Cu1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  1  0.5000  0.5000  0.0000  1.0
  F  F3  2  0.1806  0.2853  0.0308  1.0
  F  F4  2  0.2131  0.2149  0.5132  1.0
  F  F5  2  0.2761  0.8376  0.0074  1.0
]