data_[Pb2Au2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0881]
_cell_length_b [6.5180]
_cell_length_c [7.0415]
_cell_angle_alpha [68.5982]
_cell_angle_beta [77.6984]
_cell_angle_gamma [87.5435]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PbAuF4]
_chemical_formula_sum '[Pb2 Au2 F8]'
_cell_volume [212.2778]
_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
[
  Pb  Pb0  2  0.4830  0.6513  0.1786  1
  Au  Au1  2  0.1420  0.9687  0.6386  1
  F  F2  2  0.0098  0.2370  0.6932  1
  F  F3  2  0.2408  0.4108  0.1026  1
  F  F4  2  0.3169  0.7083  0.5873  1
  F  F5  2  0.3682  0.9334  0.8705  1
]