data_[V8Zn4H72N24O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Zn  1.6500  1.3500  0.8800
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7641]
_cell_length_b [12.6515]
_cell_length_c [16.5861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [V2ZnH18(N3O5)2]
_chemical_formula_sum '[V8 Zn4 H72 N24 O40]'
_cell_volume [1473.1015]
_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  4  0.1286  0.0116  0.8838  1
  V  V1  4  0.1507  0.1194  0.4559  1
  Zn  Zn2  4  0.4885  0.6844  0.2047  1
  H  H3  4  0.0795  0.5339  0.8329  1
  H  H4  4  0.1027  0.5862  0.9294  1
  H  H5  4  0.1385  0.1965  0.1875  1
  H  H6  4  0.1843  0.0346  0.0535  1
  H  H7  4  0.2042  0.7210  0.7244  1
  H  H8  4  0.2143  0.1944  0.7470  1
  H  H9  4  0.2436  0.6613  0.2719  1
  H  H10  4  0.2575  0.2139  0.6587  1
  H  H11  4  0.2593  0.1447  0.0209  1
  H  H12  4  0.2783  0.7465  0.5467  1
  H  H13  4  0.2956  0.5549  0.9139  1
  H  H14  4  0.3670  0.5044  0.7554  1
  H  H15  4  0.3853  0.7390  0.8231  1
  H  H16  4  0.3965  0.0368  0.0519  1
  H  H17  4  0.4103  0.0017  0.7374  1
  H  H18  4  0.4457  0.0075  0.6455  1
  H  H19  4  0.4700  0.6961  0.0463  1
  H  H20  4  0.4885  0.6829  0.5862  1
  N  N21  4  0.1591  0.5318  0.9005  1
  N  N22  4  0.2501  0.2490  0.2125  1
  N  N23  4  0.2579  0.0636  0.0191  1
  N  N24  4  0.3095  0.7270  0.2619  1
  N  N25  4  0.4232  0.7451  0.0821  1
  N  N26  4  0.4967  0.5243  0.2087  1
  O  O27  4  0.0399  0.6664  0.0093  1
  O  O28  4  0.0886  0.5774  0.6140  1
  O  O29  4  0.1052  0.5792  0.0737  1
  O  O30  4  0.1170  0.5505  0.7050  1
  O  O31  4  0.1187  0.6154  0.4018  1
  O  O32  4  0.1486  0.1935  0.3743  1
  O  O33  4  0.2334  0.0249  0.7977  1
  O  O34  4  0.3411  0.1846  0.5621  1
  O  O35  4  0.3723  0.0470  0.8897  1
  O  O36  4  0.4121  0.0896  0.5348  1
]