data_[K4Rb8In4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  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 [5.4997]
_cell_length_b [21.3259]
_cell_length_c [14.8548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [KRb2InI5]
_chemical_formula_sum '[K4 Rb8 In4 I20]'
_cell_volume [1742.2779]
_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
[
  Rb  Rb0  4  0.0000  0.1182  0.6880  1.0
  Rb  Rb1  4  0.0000  0.1401  0.3244  1.0
  K  K2  4  0.0000  0.2118  0.0261  1.0
  In  In3  4  0.0000  0.4627  0.4464  1.0
  I  I4  4  0.0000  0.0383  0.0191  1.0
  I  I5  4  0.0000  0.2909  0.6788  1.0
  I  I6  4  0.0000  0.3274  0.3721  1.0
  I  I7  4  0.0000  0.3756  0.0062  1.0
  I  I8  4  0.0000  0.4898  0.7629  1.0
]