data_[Cs4Li4Be8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Be  1.5700  1.0500  0.5900
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6871]
_cell_length_b [19.6816]
_cell_length_c [8.8829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsLi(BeI3)2]
_chemical_formula_sum '[Cs4 Li4 Be8 I24]'
_cell_volume [1852.1187]
_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  0.1564  0.7500  1.0
  Li  Li1  4  0.0000  0.4997  0.2500  1.0
  Be  Be2  8  0.2026  0.6133  0.2208  1.0
  I  I3  8  0.0036  0.3942  0.5011  1.0
  I  I4  8  0.1964  0.2158  0.2143  1.0
  I  I5  8  0.2150  0.0162  0.1224  1.0
]