data_[Ti1Ag8N2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ag  1.9300  1.6000  1.0867
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.7005]
_cell_length_b [7.7005]
_cell_length_c [5.5166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [TiAg8(NF3)2]
_chemical_formula_sum '[Ti1 Ag8 N2 F6]'
_cell_volume [283.2966]
_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
[
  Ti  Ti0  1  0.0000  0.0000  0.0000  1
  Ag  Ag1  6  0.2089  0.4177  0.4354  1
  Ag  Ag2  2  0.3333  0.6667  0.8376  1
  N  N3  2  0.3333  0.6667  0.2089  1
  F  F4  6  0.1143  0.2287  0.7976  1
]