data_[Pb2Au4I16]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [8.1757]
_cell_length_b [8.1757]
_cell_length_c [13.3362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [97]
_chemical_formula_structural [Pb(AuI4)2]
_chemical_formula_sum '[Pb2 Au4 I16]'
_cell_volume [891.4097]
_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  0.0000  0.0000  0.5000  1.0
  Au  Au1  4  0.0000  0.5000  0.2500  1.0
  I  I2  16  0.1735  0.6788  0.8851  1.0
]