data_[Hf16V8Si12N12]
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
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4218]
_cell_length_b [5.4389]
_cell_length_c [13.0744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4V2(SiN)3]
_chemical_formula_sum '[Hf16 V8 Si12 N12]'
_cell_volume [650.0030]
_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  0.1170  0.0864  0.1006  1
  Hf  Hf1  8  0.2176  0.0818  0.3995  1
  V  V2  8  0.0517  0.4198  0.9159  1
  Si  Si3  8  0.1344  0.4499  0.2505  1
  Si  Si4  4  0.0000  0.1461  0.7500  1
  N  N5  8  0.0850  0.2453  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]