data_[V12H4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.9449]
_cell_length_b [4.5431]
_cell_length_c [9.0423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [V6H2N]
_chemical_formula_sum '[V12 H4 N2]'
_cell_volume [181.6118]
_cell_formula_units_Z [2]
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  4  0.1749  0.7038  0.8034  1
  V  V1  4  0.1755  0.2468  0.0275  1
  V  V2  4  0.4970  0.1960  0.8528  1
  H  H3  4  0.1337  0.5010  0.1675  1
  N  N4  2  0.5000  0.0000  0.5000  1
]