data_[N6F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.7012]
_cell_length_b [8.0096]
_cell_length_c [7.2604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [NF]
_chemical_formula_sum '[N6 F6]'
_cell_volume [215.2358]
_cell_formula_units_Z [6]
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  0.0000  0.4305  0.9441  1.0
  N  N1  2  0.0000  0.0000  0.5535  1.0
  F  F2  4  0.0000  0.1334  0.6697  1.0
  F  F3  2  0.0000  0.5000  0.5062  1.0
]