data_[Cs16Au6Br8F2]
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
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8559]
_cell_length_b [10.2557]
_cell_length_c [10.2571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs8Au3Br4F]
_chemical_formula_sum '[Cs16 Au6 Br8 F2]'
_cell_volume [1541.4186]
_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  8  0.0007  0.2252  0.7269  1
  Cs  Cs1  4  0.2468  0.5000  0.2460  1
  Cs  Cs2  4  0.2490  0.0000  0.2475  1
  Au  Au3  4  0.2500  0.2500  0.5000  1
  Au  Au4  2  0.0000  0.5000  0.5000  1
  Br  Br5  4  0.2500  0.2500  0.0000  1
  Br  Br6  2  0.0000  0.0000  0.0000  1
  Br  Br7  2  0.0000  0.5000  0.0000  1
  F  F8  2  0.0000  0.0000  0.5000  1
]