# generated using pymatgen
data_Mn2VCrH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11811584
_cell_length_b   10.13836982
_cell_length_c   12.55803511
_cell_angle_alpha   90.02625736
_cell_angle_beta   89.99630097
_cell_angle_gamma   106.45261551
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VCrH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Cr1 H28 C28 N32'
_cell_volume   991.26144045
_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
  Cr  Cr0  1  0.14955832  0.12780256  0.55082010  1
  Mn  Mn1  1  0.33631781  0.86486254  0.05551797  1
  Mn  Mn2  1  0.83803967  0.86597653  0.44561082  1
  V  V3  1  0.65289739  0.12584831  0.94848989  1
  H  H4  1  0.11206193  0.44924915  0.58165332  1
  H  H5  1  0.38417340  0.54986763  0.08040675  1
  H  H6  1  0.88433398  0.55025910  0.41899674  1
  H  H7  1  0.61115033  0.44913675  0.91891011  1
  H  H8  1  0.18483483  0.64722793  0.46130542  1
  H  H9  1  0.31118041  0.34943317  0.96022110  1
  H  H10  1  0.81195877  0.35011989  0.53946070  1
  H  H11  1  0.68589356  0.64913493  0.03948376  1
  H  H12  1  0.38634224  0.65168812  0.30535088  1
  H  H13  1  0.11060647  0.34452347  0.80452223  1
  H  H14  1  0.61166966  0.34547039  0.69523699  1
  H  H15  1  0.88801731  0.65313327  0.19488079  1
  H  H16  1  0.50051250  0.44848505  0.27979499  1
  H  H17  1  0.99825793  0.54962883  0.77752585  1
  H  H18  1  0.49890986  0.55037739  0.72210356  1
  H  H19  1  0.00130619  0.44898860  0.21999635  1
  H  H20  1  0.52739151  0.22888891  0.34778482  1
  H  H21  1  0.97276540  0.76719633  0.84491584  1
  H  H22  1  0.47209205  0.76733171  0.65425856  1
  H  H23  1  0.02467693  0.22859079  0.15185359  1
  H  H24  1  0.49702604  0.00222149  0.37757362  1
  H  H25  1  1.00112622  0.99709123  0.87687171  1
  H  H26  1  0.50083913  0.99758204  0.62238249  1
  H  H27  1  -0.00476322  0.00249143  0.12176889  1
  H  H28  1  0.33026162  0.89930098  0.45923100  1
  H  H29  1  0.16809228  0.09693801  0.95962294  1
  H  H30  1  0.66758098  0.09734944  0.53962430  1
  H  H31  1  0.82903203  0.89987190  0.03966393  1
  C  C32  1  0.19248439  0.44723555  0.51222464  1
  C  C33  1  0.30537861  0.55033711  0.01011934  1
  C  C34  1  0.80551694  0.55081754  0.48926171  1
  C  C35  1  0.69102510  0.44837511  0.98877978  1
  C  C36  1  0.23700165  0.56136392  0.44515961  1
  C  C37  1  0.26037877  0.43578083  0.94325493  1
  C  C38  1  0.76090631  0.43642168  0.55621853  1
  C  C39  1  0.73700281  0.56274040  0.05577339  1
  C  C40  1  0.34851593  0.56404305  0.35920659  1
  C  C41  1  0.14918038  0.43319623  0.85729569  1
  C  C42  1  0.64992435  0.43390124  0.64229875  1
  C  C43  1  0.84885700  0.56502778  0.14148637  1
  C  C44  1  0.41348782  0.45305528  0.34481450  1
  C  C45  1  0.08563374  0.54479890  0.84227927  1
  C  C46  1  0.58588294  0.54528529  0.65714943  1
  C  C47  1  0.91266121  0.45349148  0.15592139  1
  C  C48  1  0.36088586  0.33959939  0.41427969  1
  C  C49  1  0.13936376  0.65832954  0.91154274  1
  C  C50  1  0.63916682  0.65864661  0.58775818  1
  C  C51  1  0.85789664  0.33967661  0.08684595  1
  C  C52  1  0.42226295  0.22093060  0.40452935  1
  C  C53  1  0.07666904  0.77650378  0.90267805  1
  C  C54  1  0.57628808  0.77673442  0.59665727  1
  C  C55  1  0.91979673  0.22159479  0.09521903  1
  C  C56  1  0.43241103  -0.00352002  0.45518892  1
  C  C57  1  0.06418088  1.00077533  0.95482050  1
  C  C58  1  0.56411831  1.00099122  0.54454190  1
  C  C59  1  0.93200937  -0.00328940  0.04369932  1
  N  N60  1  0.24625368  0.33423834  0.49608443  1
  N  N61  1  0.25448270  0.66405289  0.99238589  1
  N  N62  1  0.75418101  0.66438640  0.50686770  1
  N  N63  1  0.74177716  0.33421129  0.00591346  1
  N  N64  1  0.35255501  0.10996771  0.46009346  1
  N  N65  1  0.14208331  0.88617536  0.95981417  1
  N  N66  1  0.64218367  0.88667466  0.53999554  1
  N  N67  1  0.85285240  0.11085853  0.03771434  1
  N  N68  1  0.03692736  0.92265960  0.57914405  1
  N  N69  1  0.48219053  0.09169512  0.07117925  1
  N  N70  1  0.98153711  0.08975924  0.42860089  1
  N  N71  1  0.54231601  0.92228827  0.92444784  1
  N  N72  1  0.09821621  0.83753851  0.61794972  1
  N  N73  1  0.41814173  0.17472145  0.11170486  1
  N  N74  1  0.91808798  0.17303433  0.38828106  1
  N  N75  1  0.59988283  0.83636758  0.88273340  1
  N  N76  1  0.15635425  0.75266450  0.64964254  1
  N  N77  1  0.34855668  0.24964713  0.14800855  1
  N  N78  1  0.84861418  0.24811588  0.35192424  1
  N  N79  1  0.65506507  0.75160387  0.84800798  1
  N  N80  1  0.95789980  0.18884755  0.64801375  1
  N  N81  1  0.53053868  0.80201821  0.14912167  1
  N  N82  1  0.03140322  0.80237431  0.35147737  1
  N  N83  1  0.46967031  0.19091163  0.85109178  1
  N  N84  1  0.87664998  0.15701046  0.72706289  1
  N  N85  1  0.62069903  0.84176871  0.22395618  1
  N  N86  1  0.12135375  0.84287145  0.27672297  1
  N  N87  1  0.38172864  0.15987505  0.77400439  1
  N  N88  1  0.79458005  0.13480246  0.80599767  1
  N  N89  1  0.71686746  0.88395544  0.29471619  1
  N  N90  1  0.21683758  0.88669146  0.20584480  1
  N  N91  1  0.29648867  0.13931672  0.69666496  1
