data_[Na2Sn2Pb2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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_2nm]
_cell_length_a [7.4713]
_cell_length_b [7.4713]
_cell_length_c [14.2411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [NaSnPbI6]
_chemical_formula_sum '[Na2 Sn2 Pb2 I12]'
_cell_volume [794.9500]
_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
[
  Na  Na0  2  0.0000  0.0000  0.3332  1.0
  Sn  Sn1  2  0.0000  0.0000  0.6667  1.0
  Pb  Pb2  2  0.0000  0.0000  0.0009  1.0
  I  I3  4  0.1937  0.8063  0.8253  1.0
  I  I4  4  0.1945  0.8055  0.5071  1.0
  I  I5  4  0.2096  0.7904  0.1672  1.0
]