data_[Cs12Au4Cl2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.9717]
_cell_length_b [4.7033]
_cell_length_c [9.3271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5696]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs6Au2ClF3]
_chemical_formula_sum '[Cs12 Au4 Cl2 F6]'
_cell_volume [855.5715]
_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  4  0.0054  0.0000  0.2708  1.0
  Cs  Cs1  4  0.1465  0.5000  0.6609  1.0
  Cs  Cs2  4  0.1802  0.5000  0.1139  1.0
  Au  Au3  4  0.2038  0.0000  0.4395  1.0
  Cl  Cl4  2  0.0000  0.5000  0.0000  1.0
  F  F5  4  0.1607  0.0000  0.8753  1.0
  F  F6  2  0.0000  0.5000  0.5000  1.0
]