data_[Cs1N2Cl2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0537]
_cell_length_b [6.3162]
_cell_length_c [7.1714]
_cell_angle_alpha [108.6335]
_cell_angle_beta [113.0032]
_cell_angle_gamma [95.0424]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsN2(ClO3)2]
_chemical_formula_sum '[Cs1 N2 Cl2 O6]'
_cell_volume [231.9546]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1.0
  N  N1  2  0.2049  0.2274  0.9727  1.0
  Cl  Cl2  2  0.0297  0.4298  0.3667  1.0
  O  O3  2  0.0100  0.7709  0.0404  1.0
  O  O4  2  0.2312  0.1558  0.8000  1.0
  O  O5  2  0.3889  0.2976  0.1582  1.0
]