data_[K8Na4Pb4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [Cmc2_1]
_cell_length_a [4.8326]
_cell_length_b [20.5918]
_cell_length_c [16.1522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2NaPbI5]
_chemical_formula_sum '[K8 Na4 Pb4 I20]'
_cell_volume [1607.3330]
_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
[
  K  K0  4  0.0000  0.0853  0.6542  1.0
  K  K1  4  0.0000  0.1251  0.3008  1.0
  Na  Na2  4  0.0000  0.4470  0.4463  1.0
  Pb  Pb3  4  0.0000  0.2295  0.0305  1.0
  I  I4  4  0.0000  0.0745  0.0608  1.0
  I  I5  4  0.0000  0.2598  0.6723  1.0
  I  I6  4  0.0000  0.2908  0.3964  1.0
  I  I7  4  0.0000  0.3840  0.9915  1.0
  I  I8  4  0.0000  0.4981  0.2712  1.0
]