data_[Cs8Al2I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Al  1.6100  1.2500  0.6750
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [16.6177]
_cell_length_b [7.8163]
_cell_length_c [11.5782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Cs4AlI7]
_chemical_formula_sum '[Cs8 Al2 I14]'
_cell_volume [1345.3481]
_cell_formula_units_Z [2]
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  0.1199  0.4501  0.8065  1
  Cs  Cs1  4  0.1430  0.9566  0.4935  1
  Al  Al2  2  0.0000  0.9614  0.0000  1
  I  I3  4  0.0884  0.9548  0.8195  1
  I  I4  4  0.1238  0.4589  0.4801  1
  I  I5  4  0.1347  0.1324  0.1640  1
  I  I6  2  0.0000  0.6330  0.0000  1
]