data_[Rb12Pb4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [15.9942]
_cell_length_b [20.9722]
_cell_length_c [6.7142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb3PbI6]
_chemical_formula_sum '[Rb12 Pb4 I24]'
_cell_volume [2252.1734]
_cell_formula_units_Z [4]
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  8  0.1827  0.1138  0.4541  1
  Rb  Rb1  4  0.0000  0.3859  0.4482  1
  Pb  Pb2  4  0.0000  0.2119  0.0832  1
  I  I3  8  0.1605  0.4981  0.7004  1
  I  I4  8  0.1644  0.2841  0.1922  1
  I  I5  4  0.0000  0.0642  0.1383  1
  I  I6  4  0.0000  0.2117  0.6220  1
]