data_[V12N9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [8.2189]
_cell_length_b [8.2189]
_cell_length_c [17.7046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [V4N3]
_chemical_formula_sum '[V12 N9]'
_cell_volume [1035.7280]
_cell_formula_units_Z [3]
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  6  0.1611  0.4781  0.5154  1
  V  V1  3  0.0000  0.6792  0.4608  1
  V  V2  2  0.3333  0.6667  0.4118  1
  V  V3  1  0.0000  0.0000  0.5466  1
  N  N4  6  0.0915  0.7988  0.5646  1
  N  N5  3  0.0000  0.4735  0.4226  1
]