data_[Cs8As8H20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [17.0200]
_cell_length_b [5.9192]
_cell_length_c [10.6669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.0214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Cs2As2H5]
_chemical_formula_sum '[Cs8 As8 H20]'
_cell_volume [846.5752]
_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  0.2425  0.2575  0.5941  1
  Cs  Cs1  4  0.4925  0.2680  0.4801  1
  As  As2  4  0.1431  0.2212  0.8249  1
  As  As3  4  0.3690  0.2745  0.0311  1
  H  H4  4  0.0060  0.2017  0.6776  1
  H  H5  4  0.1379  0.4579  0.7584  1
  H  H6  4  0.3828  0.0225  0.0782  1
  H  H7  4  0.4802  0.2354  0.8864  1
  H  H8  4  0.4958  0.2253  0.8332  1
]