data_[Ti24Cd8N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cd  1.6900  1.5500  1.0900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6224]
_cell_length_b [12.2415]
_cell_length_c [5.1625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti3CdN]
_chemical_formula_sum '[Ti24 Cd8 N8]'
_cell_volume [608.0620]
_cell_formula_units_Z [8]
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  8  0.1124  0.0680  0.9203  1.0
  Ti  Ti1  8  0.1238  0.1855  0.4180  1.0
  Ti  Ti2  8  0.1264  0.3044  0.9397  1.0
  Cd  Cd3  8  0.1331  0.4375  0.4350  1.0
  N  N4  4  0.0000  0.0631  0.2500  1.0
  N  N5  4  0.0000  0.1935  0.7500  1.0
]