data_[Ta16Ti8Cd12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [9.3158]
_cell_length_b [5.3832]
_cell_length_c [14.6843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta4Ti2(CdN)3]
_chemical_formula_sum '[Ta16 Ti8 Cd12 N12]'
_cell_volume [719.8019]
_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
[
  Ta  Ta0  8  0.1103  0.0832  0.5810  1
  Ta  Ta1  8  0.2230  0.0837  0.9190  1
  Ti  Ti2  8  0.0571  0.4165  0.4203  1
  Cd  Cd3  8  0.1649  0.4180  0.7496  1
  Cd  Cd4  4  0.0000  0.0872  0.2500  1
  N  N5  8  0.0811  0.2565  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]