data_[Cs2P4I2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  P  2.1900  1.0000  0.5500
  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 [8.5039]
_cell_length_b [5.3797]
_cell_length_c [9.1368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsP2IO8]
_chemical_formula_sum '[Cs2 P4 I2 O16]'
_cell_volume [416.0407]
_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  2  0.0000  0.0000  0.5000  1.0
  P  P1  4  0.1293  0.5000  0.8110  1.0
  I  I2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0216  0.2641  0.8317  1.0
  O  O4  4  0.1863  0.5000  0.6619  1.0
  O  O5  4  0.2423  0.0000  0.0522  1.0
]