data_[Na2Pb2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3596]
_cell_length_b [4.8098]
_cell_length_c [12.5572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaPbI3]
_chemical_formula_sum '[Na2 Pb2 I6]'
_cell_volume [487.9973]
_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  0.4959  0.2500  0.3398  1.0
  Pb  Pb1  2  0.0132  0.7500  0.1718  1.0
  I  I2  2  0.1932  0.7500  0.7543  1.0
  I  I3  2  0.2302  0.2500  0.0876  1.0
  I  I4  2  0.2976  0.7500  0.3972  1.0
]