data_[Ti16Cd12Mo8N12]
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
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2102]
_cell_length_b [5.3297]
_cell_length_c [14.3593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2193]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti4Cd3Mo2N3]
_chemical_formula_sum '[Ti16 Cd12 Mo8 N12]'
_cell_volume [688.8990]
_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  8  0.1090  0.0903  0.0795  1
  Ti  Ti1  8  0.2275  0.0802  0.4204  1
  Cd  Cd2  8  0.1634  0.4212  0.2519  1
  Cd  Cd3  4  0.0000  0.0910  0.7500  1
  Mo  Mo4  8  0.0549  0.4200  0.9245  1
  N  N5  8  0.0888  0.2345  0.4999  1
  N  N6  4  0.2500  0.2500  0.0000  1
]