data_[V16H2N4]
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 [C2/m]
_cell_length_a [8.5936]
_cell_length_b [6.7228]
_cell_length_c [4.1878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8717]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V8HN2]
_chemical_formula_sum '[V16 H2 N4]'
_cell_volume [241.8143]
_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  8  0.1232  0.2165  0.2462  1
  V  V1  4  0.1178  0.5000  0.7542  1
  V  V2  4  0.1449  0.0000  0.7281  1
  H  H3  2  0.0000  0.0000  0.0000  1
  N  N4  4  0.1204  0.5000  0.2547  1
]