data_[Pb4Au2Cl12]
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 [P4_2/mnm]
_cell_length_a [6.7457]
_cell_length_b [6.7457]
_cell_length_c [12.6413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Pb2AuCl6]
_chemical_formula_sum '[Pb4 Au2 Cl12]'
_cell_volume [575.2385]
_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  4  0.0000  0.0000  0.3372  1.0
  Au  Au1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.1880  0.8120  0.1403  1.0
  Cl  Cl3  4  0.1914  0.8086  0.5000  1.0
]