data_[Cs8H1Pb1Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  H  2.2000  0.2500  0.0000
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.4943]
_cell_length_b [10.6649]
_cell_length_c [8.5192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cs8HPbAu2]
_chemical_formula_sum '[Cs8 H1 Pb1 Au2]'
_cell_volume [771.7505]
_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  4  0.2238  0.2206  0.1634  1.0
  Cs  Cs1  2  0.2501  0.0000  0.7020  1.0
  Cs  Cs2  2  0.2757  0.5000  0.6407  1.0
  H  H3  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb4  1  0.0000  0.5000  0.0000  1.0
  Au  Au5  2  0.5000  0.2249  0.5000  1.0
]