data_[Sn2Pb4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.6841]
_cell_length_b [7.6841]
_cell_length_c [14.4456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Sn(PbI3)2]
_chemical_formula_sum '[Sn2 Pb4 I12]'
_cell_volume [852.9487]
_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
[
  Sn  Sn0  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb1  4  0.0000  0.0000  0.3338  1.0
  I  I2  8  0.1988  0.8012  0.1640  1.0
  I  I3  4  0.2036  0.7964  0.5000  1.0
]