data_[V32C8N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [9.5200]
_cell_length_b [9.9965]
_cell_length_c [5.7527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [V4CN2]
_chemical_formula_sum '[V32 C8 N16]'
_cell_volume [547.4651]
_cell_formula_units_Z [8]
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
[
  V  V0  16  0.1217  0.3384  0.9956  1
  V  V1  16  0.1225  0.3325  0.5076  1
  C  C2  8  0.0000  0.0000  0.5012  1
  N  N3  16  0.0168  0.2490  0.2495  1
]