data_[N2Cl6F1]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.1109]
_cell_length_b [7.9980]
_cell_length_c [8.2069]
_cell_angle_alpha [108.3227]
_cell_angle_beta [93.3352]
_cell_angle_gamma [98.8110]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [N2Cl6F]
_chemical_formula_sum '[N2 Cl6 F1]'
_cell_volume [251.5010]
_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
[
  N  N0  2  0.2628  0.6345  0.6404  1
  Cl  Cl1  2  0.0024  0.1721  0.8281  1
  Cl  Cl2  2  0.0069  0.6756  0.3324  1
  Cl  Cl3  2  0.4697  0.2297  0.2168  1
  F  F4  1  0.0000  0.0000  0.0000  1
]