data_[K4Na4In4I20]
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 [C2/c]
_cell_length_a [11.0874]
_cell_length_b [13.9254]
_cell_length_c [10.9802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0024]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KNaInI5]
_chemical_formula_sum '[K4 Na4 In4 I20]'
_cell_volume [1536.4352]
_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  0.3293  0.2500  1.0
  Na  Na1  4  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.0000  0.3399  0.7500  1.0
  I  I3  8  0.1185  0.2271  0.6221  1.0
  I  I4  8  0.1786  0.4573  0.9499  1.0
  I  I5  4  0.0000  0.0851  0.2500  1.0
]