data_[Ti4Sn16N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4708]
_cell_length_b [7.7973]
_cell_length_c [9.7924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti(SnN)4]
_chemical_formula_sum '[Ti4 Sn16 N16]'
_cell_volume [677.5071]
_cell_formula_units_Z [4]
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  4  0.0000  0.4501  0.7500  1
  Sn  Sn1  8  0.0879  0.1541  0.4578  1
  Sn  Sn2  8  0.1908  0.4333  0.1324  1
  N  N3  8  0.0352  0.3442  0.5934  1
  N  N4  8  0.1651  0.3842  0.3540  1
]