# generated using pymatgen
data_Mn2VCrH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11875669
_cell_length_b   10.13697563
_cell_length_c   12.55783987
_cell_angle_alpha   90.04149144
_cell_angle_beta   89.98015858
_cell_angle_gamma   106.46529392
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VCrH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Cr1 H28 C28 N32'
_cell_volume   991.12299598
_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
  Mn  Mn0  1  0.16406364  0.13203940  0.54957620  1
  Cr  Cr1  1  0.34901274  0.87233933  0.05376625  1
  Mn  Mn2  1  0.83955534  0.86748837  0.44888631  1
  V  V3  1  0.65777120  0.12788688  0.94683509  1
  H  H4  1  0.11387069  0.44801853  0.58056142  1
  H  H5  1  0.38683595  0.55123431  0.08263038  1
  H  H6  1  0.88442303  0.55074463  0.41848076  1
  H  H7  1  0.61030822  0.44665103  0.91837867  1
  H  H8  1  0.18640422  0.64838010  0.46072519  1
  H  H9  1  0.31349322  0.35252860  0.96271933  1
  H  H10  1  0.81187704  0.35079401  0.53874746  1
  H  H11  1  0.68463425  0.64715011  0.03809681  1
  H  H12  1  0.38817134  0.65432269  0.30518184  1
  H  H13  1  0.11387170  0.34830954  0.80601737  1
  H  H14  1  0.61220702  0.34610159  0.69499742  1
  H  H15  1  0.88680996  0.65270186  0.19352574  1
  H  H16  1  0.50244596  0.45066854  0.27856799  1
  H  H17  1  1.00103409  0.55285807  0.77953734  1
  H  H18  1  0.49864921  0.55040882  0.72168929  1
  H  H19  1  0.00009021  0.44839010  0.22005137  1
  H  H20  1  0.53092901  0.23231647  0.34648347  1
  H  H21  1  0.97507067  0.77136004  0.84691485  1
  H  H22  1  0.47016463  0.76787519  0.65294884  1
  H  H23  1  0.02543959  0.22915460  0.15286132  1
  H  H24  1  0.49941489  0.00225469  0.37686300  1
  H  H25  1  1.00430426  0.99878856  0.87706869  1
  H  H26  1  0.50179267  0.99811588  0.62203417  1
  H  H27  1  -0.00386749  0.00122518  0.12249350  1
  H  H28  1  0.33083774  0.90185274  0.45890521  1
  H  H29  1  0.16839319  0.10151045  0.96042369  1
  H  H30  1  0.67024868  0.09791130  0.53975797  1
  H  H31  1  0.83182016  0.89906247  0.03893982  1
  C  C32  1  0.19330730  0.44774803  0.51051817  1
  C  C33  1  0.30757667  0.55329232  0.01269880  1
  C  C34  1  0.80566383  0.55150855  0.48876099  1
  C  C35  1  0.68931421  0.44588006  0.98862185  1
  C  C36  1  0.23808507  0.56243970  0.44389272  1
  C  C37  1  0.26257420  0.43886707  0.94579824  1
  C  C38  1  0.76087265  0.43707486  0.55565724  1
  C  C39  1  0.73557573  0.56081052  0.05502859  1
  C  C40  1  0.34975881  0.56568054  0.35802197  1
  C  C41  1  0.15167045  0.43636546  0.85954207  1
  C  C42  1  0.65011073  0.43449126  0.64191512  1
  C  C43  1  0.84752280  0.56394300  0.14081866  1
  C  C44  1  0.41444071  0.45463100  0.34316178  1
  C  C45  1  0.08772706  0.54777197  0.84462713  1
  C  C46  1  0.58583668  0.54577746  0.65676181  1
  C  C47  1  0.91148140  0.45266747  0.15588749  1
  C  C48  1  0.36132384  0.34078616  0.41204794  1
  C  C49  1  0.14106756  0.66152723  0.91385548  1
  C  C50  1  0.63886599  0.65918890  0.58745248  1
  C  C51  1  0.85665121  0.33819309  0.08753736  1
  C  C52  1  0.42500717  0.22319346  0.40271489  1
  C  C53  1  0.07985538  0.78028086  0.90397597  1
  C  C54  1  0.57589491  0.77714976  0.59649831  1
  C  C55  1  0.92003360  0.22090225  0.09644265  1
  C  C56  1  0.43518809  -0.00223282  0.45448255  1
  C  C57  1  0.06726318  1.00376685  0.95521495  1
  C  C58  1  0.56586699  1.00204225  0.54438839  1
  C  C59  1  0.93389471  -0.00371777  0.04418721  1
  N  N60  1  0.24582172  0.33449628  0.49310954  1
  N  N61  1  0.25556630  0.66697147  0.99559056  1
  N  N62  1  0.75404261  0.66515449  0.50628990  1
  N  N63  1  0.73919073  0.33124153  0.00706325  1
  N  N64  1  0.35805816  0.11227681  0.45816653  1
  N  N65  1  0.14901957  0.89125297  0.95954038  1
  N  N66  1  0.64319437  0.88744941  0.54049596  1
  N  N67  1  0.85336748  0.10941803  0.03997609  1
  N  N68  1  0.03638226  0.91653350  0.57430383  1
  N  N69  1  0.47632139  0.08151075  0.07140516  1
  N  N70  1  0.96420334  0.08334474  0.42530496  1
  N  N71  1  0.52667286  0.91862451  0.93161568  1
  N  N72  1  0.09588196  0.83217000  0.61568315  1
  N  N73  1  0.41261576  0.16427923  0.11378180  1
  N  N74  1  0.90404080  0.16721053  0.38387515  1
  N  N75  1  0.58695778  0.83498702  0.88721059  1
  N  N76  1  0.15715004  0.75049441  0.65050644  1
  N  N77  1  0.34712043  0.24236512  0.14879071  1
  N  N78  1  0.84291975  0.24900415  0.34904536  1
  N  N79  1  0.64927218  0.75607520  0.85044086  1
  N  N80  1  0.95033533  0.19337832  0.65758860  1
  N  N81  1  0.53223113  0.80783425  0.14511094  1
  N  N82  1  0.04519086  0.80604983  0.34315122  1
  N  N83  1  0.47521286  0.19474300  0.85405365  1
  N  N84  1  0.86608227  0.15893862  0.73421262  1
  N  N85  1  0.62050591  0.84428566  0.22175817  1
  N  N86  1  0.12990305  0.84061349  0.26634620  1
  N  N87  1  0.38305303  0.15826346  0.77873357  1
  N  N88  1  0.78219083  0.13096263  0.81296518  1
  N  N89  1  0.71167025  0.87498665  0.29569992  1
  N  N90  1  0.21284967  0.86654462  0.18762426  1
  N  N91  1  0.29047432  0.12808193  0.70539499  1
