data_[K2Rb4In2I12]
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 [I4/m]
_cell_length_a [8.6561]
_cell_length_b [8.6561]
_cell_length_c [12.8812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [KRb2InI6]
_chemical_formula_sum '[K2 Rb4 In2 I12]'
_cell_volume [965.1564]
_cell_formula_units_Z [2]
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  0.5000  0.2500  1
  K  K1  2  0.0000  0.0000  0.5000  1
  In  In2  2  0.0000  0.0000  0.0000  1
  I  I3  8  0.1486  0.6932  0.0000  1
  I  I4  4  0.0000  0.0000  0.2311  1
]