data_[Hf16Ta8Ni12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5074]
_cell_length_b [5.4949]
_cell_length_c [13.1947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4Ta2(NiN)3]
_chemical_formula_sum '[Hf16 Ta8 Ni12 N12]'
_cell_volume [669.3309]
_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
[
  Hf  Hf0  8  0.1185  0.0799  0.6090  1
  Hf  Hf1  8  0.2128  0.0854  0.8911  1
  Ta  Ta2  8  0.0565  0.4159  0.4154  1
  Ni  Ni3  8  0.1375  0.4446  0.7500  1
  Ni  Ni4  4  0.0000  0.1421  0.2500  1
  N  N5  8  0.0865  0.2404  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]