data_[Ag1Pb1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2782]
_cell_length_b [6.7721]
_cell_length_c [6.8792]
_cell_angle_alpha [63.4745]
_cell_angle_beta [89.9557]
_cell_angle_gamma [65.1818]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AgPbCl6]
_chemical_formula_sum '[Ag1 Pb1 Cl6]'
_cell_volume [231.1646]
_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
[
  Ag  Ag0  1  0.0000  0.0000  0.0000  1
  Pb  Pb1  1  0.5000  0.0000  0.5000  1
  Cl  Cl2  2  0.0876  0.1619  0.2310  1
  Cl  Cl3  2  0.2357  0.1690  0.7489  1
  Cl  Cl4  2  0.4571  0.4272  0.2793  1
]