data_[S6N2F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9109]
_cell_length_b [7.4686]
_cell_length_c [8.4195]
_cell_angle_alpha [108.3854]
_cell_angle_beta [100.4408]
_cell_angle_gamma [108.0131]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [S6N2F]
_chemical_formula_sum '[S6 N2 F1]'
_cell_volume [265.0509]
_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
[
  S  S0  1  0.1251  0.7780  0.1488  1
  S  S1  1  0.3116  0.6783  0.4724  1
  S  S2  1  0.5201  0.0050  0.2806  1
  S  S3  1  0.5957  0.0655  0.7969  1
  S  S4  1  0.6781  0.3641  0.5866  1
  S  S5  1  0.9365  0.2436  0.7013  1
  N  N6  1  0.3802  0.8484  0.6573  1
  N  N7  1  0.4509  0.2042  0.3937  1
  F  F8  1  0.0019  0.8128  0.9625  1
]