data_[Pb2Au2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [7.3775]
_cell_length_b [6.2520]
_cell_length_c [8.5455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PbAuCl4]
_chemical_formula_sum '[Pb2 Au2 Cl8]'
_cell_volume [365.4353]
_cell_formula_units_Z [2]
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
[
  Pb  Pb0  2  0.5000  0.0000  0.5000  1.0
  Au  Au1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  4  0.1621  0.2258  0.8641  1.0
  Cl  Cl3  4  0.3186  0.6926  0.6610  1.0
]