data_[Hf8V16As12N12]
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
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5669]
_cell_length_b [5.5540]
_cell_length_c [12.0959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2V4(AsN)3]
_chemical_formula_sum '[Hf8 V16 As12 N12]'
_cell_volume [619.8389]
_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  0.0517  0.4149  0.3967  1
  V  V1  8  0.1120  0.0711  0.5829  1
  V  V2  8  0.2163  0.0902  0.9176  1
  As  As3  8  0.1861  0.3940  0.7493  1
  As  As4  4  0.0000  0.0445  0.2500  1
  N  N5  8  0.0811  0.2552  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]