data_[Ti6Cd2N2]
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 [P1]
_cell_length_a [2.9660]
_cell_length_b [5.6999]
_cell_length_c [9.6866]
_cell_angle_alpha [75.2697]
_cell_angle_beta [88.9270]
_cell_angle_gamma [75.3085]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ti3CdN]
_chemical_formula_sum '[Ti6 Cd2 N2]'
_cell_volume [153.0168]
_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  1  0.0762  0.7793  0.6836  1.0
  Ti  Ti1  1  0.2507  0.4047  0.9455  1.0
  Ti  Ti2  1  0.2636  0.6428  0.4446  1.0
  Ti  Ti3  1  0.4289  0.1248  0.4554  1.0
  Ti  Ti4  1  0.5017  0.9018  0.9024  1.0
  Ti  Ti5  1  0.8217  0.3016  0.6966  1.0
  Cd  Cd6  1  0.7582  0.5134  0.1994  1.0
  Cd  Cd7  1  0.9177  0.0084  0.1719  1.0
  N  N8  1  0.4436  0.0518  0.6724  1.0
  N  N9  1  0.6730  0.5714  0.8196  1.0
]