data_[Hf8V16Ni12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  V  1.6300  1.3500  0.7775
  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 [8.7730]
_cell_length_b [5.0584]
_cell_length_c [12.8571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2V4(NiN)3]
_chemical_formula_sum '[Hf8 V16 Ni12 N12]'
_cell_volume [555.5855]
_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  0.0414  0.4178  0.8788  1
  V  V1  8  0.1103  0.0869  0.0824  1
  V  V2  8  0.2243  0.0826  0.4178  1
  Ni  Ni3  8  0.2432  0.6581  0.7510  1
  Ni  Ni4  4  0.0000  0.0719  0.2500  1
  N  N5  8  0.0811  0.2568  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]