data_[Cs2Hg2Au2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.9241]
_cell_length_b [9.3170]
_cell_length_c [6.6729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsHgAuF6]
_chemical_formula_sum '[Cs2 Hg2 Au2 F12]'
_cell_volume [423.2744]
_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
[
  Cs  Cs0  2  0.0000  0.0385  0.5000  1.0
  Hg  Hg1  2  0.0000  0.7491  0.0000  1.0
  Au  Au2  2  0.0000  0.3284  0.0000  1.0
  F  F3  4  0.1668  0.4799  0.1467  1.0
  F  F4  4  0.1737  0.7759  0.2767  1.0
  F  F5  4  0.1766  0.1821  0.1568  1.0
]