data_[K4Rb4Li4I12]
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
  Li  0.9800  1.4500  0.9000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5182]
_cell_length_b [5.6997]
_cell_length_c [9.7394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KRbLiI3]
_chemical_formula_sum '[K4 Rb4 Li4 I12]'
_cell_volume [1049.5102]
_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  0.1503  0.5000  0.0746  1
  K  K1  4  0.1515  0.5000  0.5742  1
  Li  Li2  4  0.0018  0.0000  0.2603  1
  I  I3  4  0.0011  0.5000  0.2598  1
  I  I4  4  0.1543  0.0000  0.8186  1
  I  I5  4  0.1581  0.0000  0.3353  1
]