data_[Rb4Li2As2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Li  0.9800  1.4500  0.9000
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [7.9580]
_cell_length_b [7.9580]
_cell_length_c [12.8338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Rb2LiAsI6]
_chemical_formula_sum '[Rb4 Li2 As2 I12]'
_cell_volume [812.7651]
_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  0.0000  0.5000  0.2448  1.0
  Li  Li1  2  0.0000  0.0000  0.5463  1.0
  As  As2  2  0.0000  0.0000  0.0027  1.0
  I  I3  8  0.1885  0.3077  0.4930  1.0
  I  I4  2  0.0000  0.0000  0.2182  1.0
  I  I5  2  0.0000  0.0000  0.7619  1.0
]