data_[Cs2Na4Pb4I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [Imm2]
_cell_length_a [6.4477]
_cell_length_b [25.8115]
_cell_length_c [6.4506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CsNa2Pb2I7]
_chemical_formula_sum '[Cs2 Na4 Pb4 I14]'
_cell_volume [1073.5379]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.9623  1.0
  Na  Na1  4  0.0000  0.2502  0.5019  1.0
  Pb  Pb2  4  0.0000  0.3762  0.0006  1.0
  I  I3  4  0.0000  0.1217  0.5018  1.0
  I  I4  4  0.0000  0.2508  0.0022  1.0
  I  I5  4  0.0000  0.3785  0.5026  1.0
  I  I6  2  0.0000  0.5000  0.0195  1.0
]