data_[Cs14I4O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1328]
_cell_length_b [16.2549]
_cell_length_c [8.1991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5791]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs7(IO)2]
_chemical_formula_sum '[Cs14 I4 O4]'
_cell_volume [1453.5331]
_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  8  0.2292  0.1384  0.7247  1
  Cs  Cs1  4  0.1018  0.5000  0.8026  1
  Cs  Cs2  2  0.0000  0.0000  0.0000  1
  I  I3  4  0.0000  0.3111  0.5000  1
  O  O4  4  0.2424  0.0000  0.9053  1
]