data_[N4Cl4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [11.8591]
_cell_length_b [4.8628]
_cell_length_c [4.6115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NClO]
_chemical_formula_sum '[N4 Cl4 O4]'
_cell_volume [265.9284]
_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
[
  N  N0  4  0.1613  0.5000  0.1028  1
  Cl  Cl1  4  0.1519  0.0000  0.8143  1
  O  O2  4  0.1098  0.5000  0.3102  1
]