data_[V4N4Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pma2]
_cell_length_a [5.8167]
_cell_length_b [20.6973]
_cell_length_c [7.2493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [28]
_chemical_formula_structural [VNCl]
_chemical_formula_sum '[V4 N4 Cl4]'
_cell_volume [872.7515]
_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
[
  V  V0  2  0.0000  0.5000  0.2020  1
  V  V1  2  0.2500  0.4484  0.4851  1
  N  N2  2  0.0000  0.5000  0.4872  1
  N  N3  2  0.2500  0.4380  0.2452  1
  Cl  Cl4  2  0.2500  0.3624  0.6582  1
  Cl  Cl5  2  0.2500  0.5546  0.9953  1
]