data_[Cs4Be4Cu8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.7816]
_cell_length_b [14.6618]
_cell_length_c [7.8840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsBe(CuI3)2]
_chemical_formula_sum '[Cs4 Be4 Cu8 I24]'
_cell_volume [1640.0176]
_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  0.1090  0.2500  1.0
  Be  Be1  4  0.0000  0.2539  0.7500  1.0
  Cu  Cu2  8  0.2007  0.4288  0.1793  1.0
  I  I3  8  0.0405  0.3434  0.0292  1.0
  I  I4  8  0.1296  0.1500  0.7923  1.0
  I  I5  8  0.2238  0.4257  0.5269  1.0
]