data_[Cs4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.7029]
_cell_length_b [9.1664]
_cell_length_c [11.6124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsI4]
_chemical_formula_sum '[Cs4 I16]'
_cell_volume [1056.4140]
_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  0.2705  0.6235  0.6960  1.0
  I  I1  4  0.0592  0.6101  0.3338  1.0
  I  I2  4  0.1304  0.2050  0.6107  1.0
  I  I3  4  0.3399  0.0316  0.5545  1.0
  I  I4  4  0.4558  0.1427  0.0130  1.0
]