data_[Ti16Sb4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0035]
_cell_length_b [4.5672]
_cell_length_c [5.5352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3376]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti8Sb2N]
_chemical_formula_sum '[Ti16 Sb4 N2]'
_cell_volume [362.0660]
_cell_formula_units_Z [2]
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  0.0043  0.0000  0.2386  1
  Ti  Ti1  4  0.0762  0.5000  0.7269  1
  Ti  Ti2  4  0.1238  0.5000  0.2564  1
  Ti  Ti3  4  0.2173  0.0000  0.1276  1
  Sb  Sb4  4  0.1718  0.0000  0.6115  1
  N  N5  2  0.0000  0.5000  0.0000  1
]