data_[Rb3Ag12Pb9I36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [16.8393]
_cell_length_b [16.8393]
_cell_length_c [11.9054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [RbAg4(PbI4)3]
_chemical_formula_sum '[Rb3 Ag12 Pb9 I36]'
_cell_volume [2923.6337]
_cell_formula_units_Z [3]
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
[
  Rb  Rb0  3  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  9  0.0000  0.4199  0.5000  1.0
  Ag  Ag2  3  0.0000  0.0000  0.5000  1.0
  Pb  Pb3  9  0.0000  0.5639  0.0000  1.0
  I  I4  18  0.0492  0.2065  0.1885  1.0
  I  I5  9  0.0000  0.5892  0.5000  1.0
  I  I6  9  0.0000  0.8381  0.5000  1.0
]