data_[K2Rb4Na6I12]
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
  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 [21.5500]
_cell_length_b [4.8746]
_cell_length_c [9.9291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KRb2Na3I6]
_chemical_formula_sum '[K2 Rb4 Na6 I12]'
_cell_volume [1009.7249]
_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  0.1668  0.0000  0.3318  1.0
  K  K1  2  0.0000  0.5000  0.0000  1.0
  Na  Na2  4  0.1661  0.0000  0.8340  1.0
  Na  Na3  2  0.0000  0.5000  0.5000  1.0
  I  I4  4  0.0072  0.0000  0.7390  1.0
  I  I5  4  0.1581  0.5000  0.6023  1.0
  I  I6  4  0.1718  0.5000  0.0615  1.0
]