data_[K8Na4In4I20]
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
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.3071]
_cell_length_b [20.8750]
_cell_length_c [14.3208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2NaInI5]
_chemical_formula_sum '[K8 Na4 In4 I20]'
_cell_volume [1586.5282]
_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  0.1282  0.6793  1.0
  K  K1  4  0.0000  0.1333  0.3232  1.0
  Na  Na2  4  0.0000  0.2158  0.0341  1.0
  In  In3  4  0.0000  0.4421  0.4495  1.0
  I  I4  4  0.0000  0.0468  0.0334  1.0
  I  I5  4  0.0000  0.2988  0.6664  1.0
  I  I6  4  0.0000  0.3119  0.3658  1.0
  I  I7  4  0.0000  0.3632  0.0057  1.0
  I  I8  4  0.0000  0.4973  0.7665  1.0
]