data_[K8In4Pb4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [Cmc2_1]
_cell_length_a [4.8443]
_cell_length_b [21.1175]
_cell_length_c [16.8126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2InPbI5]
_chemical_formula_sum '[K8 In4 Pb4 I20]'
_cell_volume [1719.9146]
_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  0.0690  0.6397  1.0
  K  K1  4  0.0000  0.1210  0.3036  1.0
  In  In2  4  0.0000  0.4352  0.4459  1.0
  Pb  Pb3  4  0.0000  0.2480  0.0363  1.0
  I  I4  4  0.0000  0.0985  0.0799  1.0
  I  I5  4  0.0000  0.2361  0.6678  1.0
  I  I6  4  0.0000  0.2742  0.4042  1.0
  I  I7  4  0.0000  0.3976  0.9861  1.0
  I  I8  4  0.0000  0.4986  0.7605  1.0
]