data_[Cs8Au2Br1]
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
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [11.5532]
_cell_length_b [11.5532]
_cell_length_c [7.8559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs8Au2Br]
_chemical_formula_sum '[Cs8 Au2 Br1]'
_cell_volume [908.1016]
_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  0.1604  0.3208  0.7645  1
  Cs  Cs1  2  0.3333  0.6667  0.2884  1
  Au  Au2  2  0.3333  0.6667  0.8051  1
  Br  Br3  1  0.0000  0.0000  0.0000  1
]