data_[Cs4Au4F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.6788]
_cell_length_b [6.9044]
_cell_length_c [12.6926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CsAuF4]
_chemical_formula_sum '[Cs4 Au4 F16]'
_cell_volume [497.6660]
_cell_formula_units_Z [4]
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  0.0000  0.5000  0.2788  1.0
  Au  Au1  2  0.0000  0.0000  0.0000  1.0
  Au  Au2  2  0.0000  0.0000  0.5000  1.0
  F  F3  8  0.0000  0.1956  0.1128  1.0
  F  F4  4  0.0000  0.0000  0.3448  1.0
  F  F5  4  0.0000  0.2848  0.5000  1.0
]