# generated using pymatgen
data_VNiH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40439376
_cell_length_b   9.52212575
_cell_length_c   9.52565587
_cell_angle_alpha   81.78188114
_cell_angle_beta   75.41163295
_cell_angle_gamma   75.79521730
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNiH20C28(N3O2)4
_chemical_formula_sum   'V1 Ni1 H20 C28 N12 O8'
_cell_volume   797.28094603
_cell_formula_units_Z   1
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
  Ni  Ni0  1  0.74018011  0.95150059  0.71169287  1
  V  V1  1  0.23943958  0.71860921  0.94596974  1
  H  H2  1  0.38775188  0.01455214  0.61236093  1
  H  H3  1  0.88720213  0.61238716  0.02418655  1
  H  H4  1  0.59905324  0.48810777  0.77714772  1
  H  H5  1  0.10284807  0.77244314  0.48307917  1
  H  H6  1  0.87093096  0.87778052  0.17882957  1
  H  H7  1  0.36961854  0.18167492  0.88124959  1
  H  H8  1  0.07763543  0.30811152  0.24901982  1
  H  H9  1  0.58051073  0.24420936  0.29731805  1
  H  H10  1  0.59218210  0.92462115  0.08519720  1
  H  H11  1  0.08452287  0.08788336  0.92354650  1
  H  H12  1  0.95931952  0.11160509  0.40610486  1
  H  H13  1  0.46618961  0.40626627  0.10213653  1
  H  H14  1  0.78747991  0.62849216  0.53788346  1
  H  H15  1  0.29476119  0.52999904  0.62256502  1
  H  H16  1  0.21208960  0.03042787  0.45009148  1
  H  H17  1  0.70841532  0.45364339  0.03301104  1
  H  H18  1  0.31152908  0.98476354  0.18777053  1
  H  H19  1  0.80593040  0.19253416  0.98180613  1
  H  H20  1  0.98643472  0.56593884  0.30981500  1
  H  H21  1  0.49096516  0.30274216  0.55578285  1
  C  C22  1  0.43004484  0.99391505  0.49828420  1
  C  C23  1  0.92725122  0.49857113  0.00203453  1
  C  C24  1  0.44698693  0.90413716  0.86324910  1
  C  C25  1  0.94186259  0.86608866  0.90046291  1
  C  C26  1  0.54769447  0.75268290  0.83163673  1
  C  C27  1  0.04112316  0.82422497  0.75045050  1
  C  C28  1  0.98896550  0.33497544  0.34641404  1
  C  C29  1  0.49367798  0.34212928  0.32545078  1
  C  C30  1  0.54451818  0.94269151  0.19923715  1
  C  C31  1  0.03927546  0.20108542  0.94469612  1
  C  C32  1  0.82123881  0.26004183  0.56249324  1
  C  C33  1  0.32838078  0.55923499  0.25467854  1
  C  C34  1  0.92861385  0.22369086  0.43452685  1
  C  C35  1  0.43488682  0.43235320  0.21519341  1
  C  C36  1  0.82818790  0.51739780  0.50740291  1
  C  C37  1  0.33515124  0.50172744  0.51067723  1
  C  C38  1  0.77230007  0.40468001  0.59620365  1
  C  C39  1  0.27940518  0.59260134  0.39953424  1
  C  C40  1  0.63937220  0.93187676  0.29357176  1
  C  C41  1  0.13617415  0.29274665  0.93912179  1
  C  C42  1  0.33343580  0.00320217  0.40595383  1
  C  C43  1  0.82952528  0.40812261  0.00699265  1
  C  C44  1  0.38940552  0.97805681  0.25763664  1
  C  C45  1  0.88461544  0.26080404  0.97855862  1
  C  C46  1  0.93846074  0.48054895  0.38130903  1
  C  C47  1  0.44372153  0.37575224  0.47155459  1
  C  C48  1  0.58514709  0.95766379  0.44015032  1
  C  C49  1  0.08163444  0.43830049  0.96779552  1
  N  N50  1  0.83394499  0.91734857  0.39543697  1
  N  N51  1  0.33056978  0.39564378  0.92663804  1
  N  N52  1  0.64746915  0.26383851  0.76813346  1
  N  N53  1  0.15469315  0.76445584  0.26016036  1
  N  N54  1  0.71112281  0.94542657  0.49797002  1
  N  N55  1  0.20676848  0.49745572  0.95619164  1
  N  N56  1  0.66664605  0.39897711  0.72438077  1
  N  N57  1  0.17520769  0.72190519  0.39415631  1
  N  N58  1  0.74161644  0.17780857  0.67373337  1
  N  N59  1  0.24960279  0.67002979  0.17278028  1
  N  N60  1  0.79264739  0.90538847  0.27410717  1
  N  N61  1  0.28999196  0.27469743  0.91364244  1
  O  O62  1  0.47932527  0.64703848  0.86958994  1
  O  O63  1  0.97924605  0.86076744  0.64340379  1
  O  O64  1  0.50690562  0.01232811  0.82070624  1
  O  O65  1  1.00620378  0.82357695  0.00773932  1
  O  O66  1  0.30983082  0.90908059  0.92762281  1
  O  O67  1  0.80923323  0.93693234  0.90707614  1
  O  O68  1  0.68328005  0.74508027  0.76898487  1
  O  O69  1  0.17628904  0.75598132  0.74707227  1
