data_[Cs4K2Rb6I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [23.3250]
_cell_length_b [5.3485]
_cell_length_c [10.7230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3451]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2KRb3I6]
_chemical_formula_sum '[Cs4 K2 Rb6 I12]'
_cell_volume [1301.6227]
_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
[
  Cs  Cs0  4  0.1655  0.0000  0.3311  1.0
  Rb  Rb1  4  0.1677  0.0000  0.8354  1.0
  K  K2  2  0.0000  0.5000  0.0000  1.0
  Rb  Rb3  2  0.0000  0.5000  0.5000  1.0
  I  I4  4  0.0036  0.0000  0.7604  1.0
  I  I5  4  0.1630  0.5000  0.0718  1.0
  I  I6  4  0.1635  0.5000  0.5914  1.0
]