data_[Pb1Au1Cl6]
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 [P-1]
_cell_length_a [5.9297]
_cell_length_b [7.0711]
_cell_length_c [7.5409]
_cell_angle_alpha [64.2470]
_cell_angle_beta [70.9438]
_cell_angle_gamma [85.9936]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PbAuCl6]
_chemical_formula_sum '[Pb1 Au1 Cl6]'
_cell_volume [268.2089]
_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
[
  Pb  Pb0  1  0.5000  0.5000  0.0000  1.0
  Au  Au1  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  2  0.0620  0.6525  0.1950  1.0
  Cl  Cl3  2  0.2091  0.1039  0.1616  1.0
  Cl  Cl4  2  0.4773  0.7172  0.6305  1.0
]