data_[Cs4Al4I14]
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 [P2_1/c]
_cell_length_a [7.2700]
_cell_length_b [18.1381]
_cell_length_c [9.5838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2Al2I7]
_chemical_formula_sum '[Cs4 Al4 I14]'
_cell_volume [1234.3915]
_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  0.3574  0.1517  0.0385  1
  Al  Al1  4  0.1883  0.6065  0.8735  1
  I  I2  4  0.0019  0.7293  0.7992  1
  I  I3  4  0.2501  0.5567  0.6287  1
  I  I4  4  0.4886  0.1425  0.4637  1
  I  I5  2  0.0000  0.0000  0.5000  1
]