data_[K8Li4Pb4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  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 [4.7728]
_cell_length_b [20.5989]
_cell_length_c [15.5738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2LiPbI5]
_chemical_formula_sum '[K8 Li4 Pb4 I20]'
_cell_volume [1531.1162]
_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  0.0973  0.6692  1.0
  K  K1  4  0.0000  0.1225  0.3263  1.0
  Li  Li2  4  0.0000  0.4403  0.4307  1.0
  Pb  Pb3  4  0.0000  0.2085  0.0307  1.0
  I  I4  4  0.0000  0.0487  0.0248  1.0
  I  I5  4  0.0000  0.2810  0.6767  1.0
  I  I6  4  0.0000  0.3035  0.3862  1.0
  I  I7  4  0.0000  0.3629  0.0042  1.0
  I  I8  4  0.0000  0.4997  0.7752  1.0
]