data_[Cu1Pb1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [5.3383]
_cell_length_b [5.3975]
_cell_length_c [5.6482]
_cell_angle_alpha [62.4325]
_cell_angle_beta [89.7855]
_cell_angle_gamma [62.6461]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuPbF6]
_chemical_formula_sum '[Cu1 Pb1 F6]'
_cell_volume [123.5454]
_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
[
  Cu  Cu0  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb1  1  0.5000  0.0000  0.5000  1.0
  F  F2  2  0.1262  0.1082  0.2386  1.0
  F  F3  2  0.2344  0.1205  0.7631  1.0
  F  F4  2  0.3785  0.4851  0.2580  1.0
]