data_[Cs9Au3Br1O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [8.3677]
_cell_length_b [8.3677]
_cell_length_c [12.2007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs9Au3BrO2]
_chemical_formula_sum '[Cs9 Au3 Br1 O2]'
_cell_volume [739.8272]
_cell_formula_units_Z [1]
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  6  0.1676  0.3351  0.7279  1.0
  Cs  Cs1  3  0.0000  0.5000  0.0000  1.0
  Au  Au2  2  0.3333  0.6667  0.2395  1.0
  Au  Au3  1  0.0000  0.0000  0.0000  1.0
  Br  Br4  1  0.0000  0.0000  0.5000  1.0
  O  O5  2  0.3333  0.6667  0.8354  1.0
]