data_[Ta8Cd2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cd  1.6900  1.5500  1.0900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.0752]
_cell_length_b [3.0752]
_cell_length_c [25.2815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Ta4CdN3]
_chemical_formula_sum '[Ta8 Cd2 N6]'
_cell_volume [207.0513]
_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
[
  Ta  Ta0  4  0.0000  0.0000  0.1530  1
  Ta  Ta1  4  0.3333  0.6667  0.0514  1
  Cd  Cd2  2  0.3333  0.6667  0.2500  1
  N  N3  4  0.3333  0.6667  0.6034  1
  N  N4  2  0.0000  0.0000  0.0000  1
]