# generated using pymatgen
data_VFeH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88427852
_cell_length_b   11.63819773
_cell_length_c   12.31541147
_cell_angle_alpha   118.36468275
_cell_angle_beta   100.12195935
_cell_angle_gamma   89.90170479
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeH28C32(NO3)4
_chemical_formula_sum   'V1 Fe1 H28 C32 N4 O12'
_cell_volume   974.52722199
_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  0.99999918  0.99999969  0.49999899  1
  Fe  Fe1  1  0.50000147  0.50000080  0.50000111  1
  H  H2  1  0.83784983  0.90714543  0.62035026  1
  H  H3  1  0.65655502  0.28124907  0.37398889  1
  H  H4  1  0.16214844  0.09285372  0.37964781  1
  H  H5  1  0.34344804  0.71875221  0.62601241  1
  H  H6  1  0.02295337  0.84401645  0.61245886  1
  H  H7  1  0.47378148  0.22439147  0.37853441  1
  H  H8  1  0.97704579  0.15598327  0.38753928  1
  H  H9  1  0.52622112  0.77560972  0.62146720  1
  H  H10  1  0.76634520  0.94163389  0.25332666  1
  H  H11  1  0.73354187  0.68876551  0.75077991  1
  H  H12  1  0.23365414  0.05836556  0.74667112  1
  H  H13  1  0.26645905  0.31123607  0.24922636  1
  H  H14  1  0.57771597  0.75300751  0.07835032  1
  H  H15  1  0.92171061  0.67518067  0.92617828  1
  H  H16  1  0.42228414  0.24699265  0.92164661  1
  H  H17  1  0.07828750  0.32481919  0.07382818  1
  H  H18  1  0.79612042  0.51386217  0.24187672  1
  H  H19  1  0.70505636  0.26998893  0.75680069  1
  H  H20  1  0.20387346  0.48613694  0.75812089  1
  H  H21  1  0.29494459  0.73000936  0.24319896  1
  H  H22  1  0.99123309  0.70803434  0.40196624  1
  H  H23  1  0.51340496  0.30539621  0.59670415  1
  H  H24  1  0.00876209  0.29196423  0.59803158  1
  H  H25  1  0.48659790  0.69460418  0.40329624  1
  H  H26  1  0.57118090  0.41154471  0.05548698  1
  H  H27  1  0.93132576  0.35476553  0.94442703  1
  H  H28  1  0.42881504  0.58845524  0.94450929  1
  H  H29  1  0.06867228  0.64523169  0.05557414  1
  C  C30  1  0.76908395  0.84507783  0.24720174  1
  C  C31  1  0.73172176  0.59803517  0.75604743  1
  C  C32  1  0.23091428  0.15492172  0.75279585  1
  C  C33  1  0.26827972  0.40196590  0.24395739  1
  C  C34  1  0.66375094  0.73906085  0.14990721  1
  C  C35  1  0.83688572  0.58935319  0.85357734  1
  C  C36  1  0.33624773  0.26093894  0.85008986  1
  C  C37  1  0.16311395  0.41064670  0.14642726  1
  C  C38  1  0.66832946  0.61541758  0.14533096  1
  C  C39  1  0.83229183  0.46919886  0.85589404  1
  C  C40  1  0.33166744  0.38458185  0.85466583  1
  C  C41  1  0.16770768  0.53079964  0.14410839  1
  C  C42  1  0.78718736  0.60658078  0.24029072  1
  C  C43  1  0.71433722  0.36494707  0.75973930  1
  C  C44  1  0.21280787  0.39341856  0.75970665  1
  C  C45  1  0.28566354  0.63505180  0.24026161  1
  C  C46  1  0.89285666  0.71588561  0.33220244  1
  C  C47  1  0.61025400  0.38343753  0.66807708  1
  C  C48  1  0.10713927  0.28411303  0.66779505  1
  C  C49  1  0.38974818  0.61656251  0.33192402  1
  C  C50  1  0.62184773  0.03669989  0.50393174  1
  C  C51  1  0.87828974  0.53324431  0.49279753  1
  C  C52  1  0.37815060  0.96330086  0.49606807  1
  C  C53  1  0.12171348  0.46675672  0.50720515  1
  C  C54  1  0.55530637  0.94500707  0.54047664  1
  C  C55  1  0.94406254  0.40391329  0.45657625  1
  C  C56  1  0.44469241  0.05499379  0.45952356  1
  C  C57  1  0.05594044  0.59608808  0.54342696  1
  C  C58  1  0.55871264  0.50131813  0.04842744  1
  C  C59  1  0.94206567  0.45189885  0.95193164  1
  C  C60  1  0.44128416  0.49868162  0.95156908  1
  C  C61  1  0.05793293  0.54809888  0.04807046  1
  N  N62  1  0.87984168  0.83632919  0.34101383  1
  N  N63  1  0.62353385  0.49577552  0.66245744  1
  N  N64  1  0.12015618  0.16366974  0.65898384  1
  N  N65  1  0.37646944  0.50422547  0.33754552  1
  O  O66  1  0.96163804  0.92030294  0.61441407  1
  O  O67  1  0.53307720  0.29820648  0.37615455  1
  O  O68  1  0.03836024  0.07969614  0.38558354  1
  O  O69  1  0.46692638  0.70179505  0.62384805  1
  O  O70  1  0.77000213  0.08638883  0.51300002  1
  O  O71  1  0.73264847  0.57562030  0.48381240  1
  O  O72  1  0.22999673  0.91361039  0.48699795  1
  O  O73  1  0.26735430  0.42438039  0.51618893  1
  O  O74  1  0.62744439  0.89525654  0.60663498  1
  O  O75  1  0.87479285  0.28709079  0.39660378  1
  O  O76  1  0.37255477  0.10474464  0.39336519  1
  O  O77  1  0.12521008  0.71291027  0.60339511  1
