data_[Ta16V8Cd12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  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 [9.2459]
_cell_length_b [5.3371]
_cell_length_c [14.5267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta4V2(CdN)3]
_chemical_formula_sum '[Ta16 V8 Cd12 N12]'
_cell_volume [700.1350]
_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  0.1109  0.0853  0.0826  1
  Ta  Ta1  8  0.2234  0.0828  0.4175  1
  V  V2  8  0.0578  0.4180  0.9274  1
  Cd  Cd3  8  0.1594  0.5754  0.7503  1
  Cd  Cd4  4  0.0000  0.0973  0.7500  1
  N  N5  8  0.0819  0.2540  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]