data_[Cs1Pb2Au1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4857]
_cell_length_b [8.2362]
_cell_length_c [9.5105]
_cell_angle_alpha [100.5153]
_cell_angle_beta [106.2437]
_cell_angle_gamma [98.1496]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsPb2AuCl8]
_chemical_formula_sum '[Cs1 Pb2 Au1 Cl8]'
_cell_volume [397.0672]
_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  0.5000  0.5000  0.0000  1
  Pb  Pb1  2  0.1752  0.7628  0.5140  1
  Au  Au2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  2  0.0081  0.4462  0.3104  1
  Cl  Cl4  2  0.0796  0.7879  0.1274  1
  Cl  Cl5  2  0.3053  0.1611  0.5702  1
  Cl  Cl6  2  0.4119  0.1535  0.1447  1
]