data_[Na4In4Pb4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [9.5012]
_cell_length_b [9.7463]
_cell_length_c [14.2179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NaInPbI4]
_chemical_formula_sum '[Na4 In4 Pb4 I16]'
_cell_volume [1316.5893]
_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
[
  Na  Na0  4  0.0000  0.2500  0.3624  1
  In  In1  4  0.2500  0.2500  0.7500  1
  Pb  Pb2  4  0.0000  0.0000  0.0000  1
  I  I3  8  0.0000  0.0047  0.2277  1
  I  I4  8  0.2360  0.2500  0.9999  1
]