data_[Cs4Rb2Na6I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Na  0.9300  1.8000  1.1600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.1430]
_cell_length_b [4.9743]
_cell_length_c [10.2071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2RbNa3I6]
_chemical_formula_sum '[Cs4 Rb2 Na6 I12]'
_cell_volume [1085.2983]
_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  0.1670  0.0000  0.3332  1.0
  Rb  Rb1  2  0.0000  0.5000  0.0000  1.0
  Na  Na2  4  0.1655  0.0000  0.8360  1.0
  Na  Na3  2  0.0000  0.5000  0.5000  1.0
  I  I4  4  0.0094  0.0000  0.7340  1.0
  I  I5  4  0.1549  0.5000  0.6103  1.0
  I  I6  4  0.1740  0.5000  0.0557  1.0
]