data_[Cs4Be8Ga4I24]
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
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.0732]
_cell_length_b [21.4457]
_cell_length_c [9.4470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsBe2GaI6]
_chemical_formula_sum '[Cs4 Be8 Ga4 I24]'
_cell_volume [2165.7083]
_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  0.1850  0.7500  1.0
  Be  Be1  8  0.2179  0.6280  0.2511  1.0
  Ga  Ga2  4  0.0000  0.4915  0.7500  1.0
  I  I3  8  0.0258  0.3879  0.5266  1.0
  I  I4  8  0.1910  0.2246  0.2074  1.0
  I  I5  8  0.1949  0.0466  0.0713  1.0
]