data_[Cs1Pb2Au1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1895]
_cell_length_b [7.9658]
_cell_length_c [9.4825]
_cell_angle_alpha [87.5759]
_cell_angle_beta [84.4235]
_cell_angle_gamma [65.4747]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsPb2AuBr8]
_chemical_formula_sum '[Cs1 Pb2 Au1 Br8]'
_cell_volume [491.7273]
_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  1  0.0000  0.0000  0.5000  1.0
  Pb  Pb1  2  0.0232  0.5018  0.7672  1.0
  Au  Au2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1968  0.7627  0.1741  1.0
  Br  Br4  2  0.2356  0.7891  0.8091  1.0
  Br  Br5  2  0.2644  0.2724  0.0139  1.0
  Br  Br6  2  0.2768  0.3220  0.4512  1.0
]