data_[Cs4K4Be8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  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 [12.6762]
_cell_length_b [15.3322]
_cell_length_c [11.3042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsK(BeI3)2]
_chemical_formula_sum '[Cs4 K4 Be8 I24]'
_cell_volume [2050.1632]
_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  0.1660  0.7500  1.0
  K  K1  4  0.0000  0.4138  0.2500  1.0
  Be  Be2  8  0.2463  0.1041  0.2108  1.0
  I  I3  8  0.0884  0.3905  0.6136  1.0
  I  I4  8  0.1474  0.2306  0.1339  1.0
  I  I5  8  0.1930  0.0254  0.6020  1.0
]