data_[Sn1N2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8770]
_cell_length_b [4.1279]
_cell_length_c [8.0333]
_cell_angle_alpha [96.9584]
_cell_angle_beta [93.4620]
_cell_angle_gamma [117.6570]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sn(NF)2]
_chemical_formula_sum '[Sn1 N2 F2]'
_cell_volume [112.0375]
_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
[
  Sn  Sn0  1  0.0504  0.0952  0.0037  1
  N  N1  1  0.0496  0.0652  0.4408  1
  N  N2  1  0.9439  0.9243  0.5511  1
  F  F3  1  0.3449  0.6609  0.1229  1
  F  F4  1  0.6112  0.2544  0.8814  1
]