data_[Cs4Rb4Li4I12]
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
  Li  0.9800  1.4500  0.9000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.0323]
_cell_length_b [16.6189]
_cell_length_c [14.4579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsRbLiI3]
_chemical_formula_sum '[Cs4 Rb4 Li4 I12]'
_cell_volume [1209.1310]
_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
[
  Cs  Cs0  4  0.0000  0.2564  0.2500  1.0
  Rb  Rb1  4  0.0000  0.0000  0.0000  1.0
  Li  Li2  4  0.0000  0.4590  0.7500  1.0
  I  I3  8  0.0000  0.3631  0.5953  1.0
  I  I4  4  0.0000  0.0544  0.7500  1.0
]