# generated using pymatgen
data_VCoH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40772276
_cell_length_b   9.52416949
_cell_length_c   9.52818409
_cell_angle_alpha   81.78742101
_cell_angle_beta   75.39692335
_cell_angle_gamma   75.79708923
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCoH20C28(N3O2)4
_chemical_formula_sum   'V1 Co1 H20 C28 N12 O8'
_cell_volume   797.90999119
_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
  V  V0  1  0.73968612  0.94816397  0.71836320  1
  Co  Co1  1  0.23897173  0.70610913  0.95374271  1
  H  H2  1  0.38745669  0.01382360  0.61050515  1
  H  H3  1  0.88841407  0.61300656  0.02586628  1
  H  H4  1  0.59658483  0.48883327  0.77931122  1
  H  H5  1  0.10537009  0.77224010  0.48438002  1
  H  H6  1  0.87344726  0.87639887  0.17723965  1
  H  H7  1  0.36793008  0.17873143  0.88257338  1
  H  H8  1  0.07793244  0.31074999  0.24766436  1
  H  H9  1  0.57905918  0.24507363  0.29632158  1
  H  H10  1  0.58924711  0.92433958  0.08242607  1
  H  H11  1  0.08575977  0.08854648  0.92447710  1
  H  H12  1  0.96216374  0.11330923  0.40621282  1
  H  H13  1  0.46727721  0.40763033  0.10064083  1
  H  H14  1  0.78837936  0.63195173  0.53552201  1
  H  H15  1  0.29443392  0.53111738  0.62178045  1
  H  H16  1  0.21101121  0.03092385  0.44846319  1
  H  H17  1  0.71032697  0.45534281  0.03248712  1
  H  H18  1  0.31022112  0.98447441  0.18625812  1
  H  H19  1  0.80672832  0.19365189  0.98271041  1
  H  H20  1  0.98607946  0.56801324  0.30820382  1
  H  H21  1  0.48991507  0.30338645  0.55464129  1
  C  C22  1  0.42864655  0.99408023  0.49613598  1
  C  C23  1  0.92916283  0.49981073  0.00250266  1
  C  C24  1  0.44174746  0.89784058  0.86619000  1
  C  C25  1  0.94521054  0.86782473  0.90484725  1
  C  C26  1  0.54589516  0.74721559  0.83457330  1
  C  C27  1  0.04472798  0.82337938  0.75542804  1
  C  C28  1  0.98975005  0.33714264  0.34531926  1
  C  C29  1  0.49269448  0.34320607  0.32419978  1
  C  C30  1  0.54309281  0.94295570  0.19645245  1
  C  C31  1  0.03976614  0.20202700  0.94482978  1
  C  C32  1  0.82189097  0.26371541  0.56019462  1
  C  C33  1  0.32788871  0.56052686  0.25316747  1
  C  C34  1  0.93025170  0.22576556  0.43352492  1
  C  C35  1  0.43488681  0.43361781  0.21366676  1
  C  C36  1  0.82845681  0.52052959  0.50597717  1
  C  C37  1  0.33439845  0.50217558  0.50997583  1
  C  C38  1  0.77172125  0.40817921  0.59525097  1
  C  C39  1  0.27891162  0.59254659  0.39859628  1
  C  C40  1  0.63903329  0.93229961  0.28989986  1
  C  C41  1  0.13663906  0.29372006  0.93817818  1
  C  C42  1  0.33214097  0.00374415  0.40408202  1
  C  C43  1  0.83128915  0.40987242  0.00691575  1
  C  C44  1  0.38814046  0.97843795  0.25575243  1
  C  C45  1  0.88525773  0.26222460  0.97905946  1
  C  C46  1  0.93866149  0.48266403  0.38014660  1
  C  C47  1  0.44288167  0.37636080  0.47044338  1
  C  C48  1  0.58342407  0.95776633  0.43664954  1
  C  C49  1  0.08380416  0.43936969  0.96770479  1
  N  N50  1  0.83188315  0.91457124  0.39461023  1
  N  N51  1  0.33313226  0.39305559  0.92569401  1
  N  N52  1  0.64831346  0.26546335  0.76588865  1
  N  N53  1  0.15410803  0.76597320  0.26052456  1
  N  N54  1  0.70759943  0.94369031  0.49668884  1
  N  N55  1  0.21112766  0.49477182  0.95771825  1
  N  N56  1  0.66547940  0.40064972  0.72353576  1
  N  N57  1  0.17450150  0.72127774  0.39480855  1
  N  N58  1  0.74242095  0.18016292  0.66922277  1
  N  N59  1  0.24856985  0.67348225  0.17307533  1
  N  N60  1  0.79279863  0.90441771  0.27249075  1
  N  N61  1  0.29014157  0.27298159  0.91270875  1
  O  O62  1  0.48687392  0.63780061  0.87197225  1
  O  O63  1  0.97850065  0.86076008  0.64913956  1
  O  O64  1  0.50450595  0.00642415  0.82298332  1
  O  O65  1  1.00094698  0.82508937  0.01509861  1
  O  O66  1  0.30643994  0.90379026  0.92988455  1
  O  O67  1  0.81234404  0.94196252  0.90616408  1
  O  O68  1  0.68224482  0.74608526  0.77062113  1
  O  O69  1  0.17794159  0.75413129  0.74907643  1
