# generated using pymatgen
data_MnVH40C40(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08487351
_cell_length_b   12.18237583
_cell_length_c   11.40369301
_cell_angle_alpha   79.79693937
_cell_angle_beta   80.95050964
_cell_angle_gamma   70.87050937
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVH40C40(N2O)8
_chemical_formula_sum   'Mn1 V1 H40 C40 N16 O8'
_cell_volume   1038.41561267
_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  0.00000035  -0.00000032  -0.00000097  1
  V  V1  1  0.49999936  0.50000294  0.50000033  1
  H  H2  1  0.23013349  0.43617103  0.83353207  1
  H  H3  1  0.76986556  0.56382807  0.16647031  1
  H  H4  1  0.82487195  0.37020508  0.10250685  1
  H  H5  1  0.17512877  0.62979331  0.89749714  1
  H  H6  1  0.70076623  0.09586890  0.82814293  1
  H  H7  1  0.29923424  0.90413222  0.17185408  1
  H  H8  1  0.65266748  0.10302497  0.19248006  1
  H  H9  1  0.34733366  0.89697665  0.80751760  1
  H  H10  1  0.33241706  0.21322508  0.11740925  1
  H  H11  1  0.66758377  0.78677378  0.88258757  1
  H  H12  1  0.37075571  0.18736871  0.88238693  1
  H  H13  1  0.62924572  0.81262765  0.11761118  1
  H  H14  1  0.08575740  0.15932191  0.75621390  1
  H  H15  1  0.91423989  0.84067976  0.24378863  1
  H  H16  1  0.97282869  0.84160021  0.81093344  1
  H  H17  1  0.02718243  0.15839650  0.18906069  1
  H  H18  1  0.09988043  0.87590229  0.57877515  1
  H  H19  1  0.90013285  0.12410083  0.42121978  1
  H  H20  1  0.14810454  0.08825889  0.54561918  1
  H  H21  1  0.85189828  0.91174668  0.45438212  1
  H  H22  1  0.42640274  0.18833768  0.36385132  1
  H  H23  1  0.57359781  0.81166515  0.63614877  1
  H  H24  1  0.61565496  0.98606637  0.69221358  1
  H  H25  1  0.38434925  0.01393625  0.30778469  1
  H  H26  1  0.36881636  0.69819448  0.28348851  1
  H  H27  1  0.63117525  0.30181214  0.71651178  1
  H  H28  1  0.55927885  0.33442996  0.29927324  1
  H  H29  1  0.44072629  0.66557720  0.70072788  1
  H  H30  1  0.42384813  0.41834119  0.08733674  1
  H  H31  1  0.57615375  0.58166272  0.91266616  1
  H  H32  1  0.30937945  0.65444793  0.07939365  1
  H  H33  1  0.69061070  0.34555342  0.92060913  1
  H  H34  1  0.20764963  0.39211669  0.65010657  1
  H  H35  1  0.79236360  0.60788618  0.34988980  1
  H  H36  1  0.15560116  0.72252535  0.46005074  1
  H  H37  1  0.84438714  0.27748053  0.53995344  1
  H  H38  1  0.83257801  0.71880022  0.56606790  1
  H  H39  1  0.16741240  0.28119271  0.43393398  1
  H  H40  1  0.88353094  0.50641711  0.69974657  1
  H  H41  1  0.11647226  0.49357589  0.30025597  1
  C  C42  1  0.04637252  0.27693457  0.91202211  1
  C  C43  1  0.95362742  0.72306502  0.08797926  1
  C  C44  1  0.02628525  0.39012194  0.95993169  1
  C  C45  1  0.97371411  0.60987704  0.04007087  1
  C  C46  1  0.12653917  0.46387454  0.90571701  1
  C  C47  1  0.87346054  0.53612428  0.09428581  1
  C  C48  1  0.90175059  0.42719265  0.05674936  1
  C  C49  1  0.09824929  0.57280596  0.94325367  1
  C  C50  1  0.61755295  0.11203703  0.10290648  1
  C  C51  1  0.38244709  0.88796284  0.89708962  1
  C  C52  1  0.45211311  0.16823001  0.06429421  1
  C  C53  1  0.54788733  0.83176866  0.93570407  1
  C  C54  1  0.47037703  0.15715276  0.94398916  1
  C  C55  1  0.52962342  0.84284532  0.05600726  1
  C  C56  1  0.00911711  0.91727538  0.76487314  1
  C  C57  1  0.99089009  0.08272440  0.23512218  1
  C  C58  1  0.07365930  0.93525709  0.64561330  1
  C  C59  1  0.92634771  0.06474496  0.35438349  1
  C  C60  1  0.10345637  0.04270085  0.62866284  1
  C  C61  1  0.89654586  0.95730346  0.37133593  1
  C  C62  1  0.54864422  0.20847878  0.57233825  1
  C  C63  1  0.45135502  0.79152451  0.42766093  1
  C  C64  1  0.52145664  0.10274918  0.53395731  1
  C  C65  1  0.47854557  0.89725312  0.46604191  1
  C  C66  1  0.45716672  0.10636121  0.42538033  1
  C  C67  1  0.54283544  0.89364125  0.57461868  1
  C  C68  1  0.56401255  0.99375138  0.60724236  1
  C  C69  1  0.43599060  0.00625086  0.39275628  1
  C  C70  1  0.49159341  0.42470624  0.26638843  1
  C  C71  1  0.50841120  0.57529747  0.73361529  1
  C  C72  1  0.42986393  0.46884638  0.15575361  1
  C  C73  1  0.57013513  0.53115565  0.84424694  1
  C  C74  1  0.36474667  0.58939997  0.15276250  1
  C  C75  1  0.63524448  0.41060459  0.84723988  1
  C  C76  1  0.12250815  0.65226787  0.52128295  1
  C  C77  1  0.87748561  0.34773542  0.47871938  1
  C  C78  1  0.95785736  0.65049062  0.57744206  1
  C  C79  1  0.04213938  0.34950416  0.42256185  1
  C  C80  1  0.98135096  0.54141121  0.64491330  1
  C  C81  1  0.01865154  0.45858439  0.35508837  1
  N  N82  1  0.73341429  0.06850679  0.01082892  1
  N  N83  1  0.26658700  0.93149290  0.98916977  1
  N  N84  1  0.63912816  0.09537200  0.91391114  1
  N  N85  1  0.36087466  0.90462613  0.08608704  1
  N  N86  1  0.00052989  1.00940733  0.81972343  1
  N  N87  1  0.99947084  -0.00940859  0.18027479  1
  N  N88  1  0.06034792  0.08557809  0.73358411  1
  N  N89  1  0.93965004  0.91442390  0.26641672  1
  N  N90  1  0.46027535  0.51464255  0.33125710  1
  N  N91  1  0.53972356  0.48536376  0.66874298  1
  N  N92  1  0.37823152  0.61592455  0.25963332  1
  N  N93  1  0.62175822  0.38408093  0.74036796  1
  N  N94  1  0.24401199  0.54680416  0.55197850  1
  N  N95  1  0.75598524  0.45320296  0.44802264  1
  N  N96  1  0.15395290  0.48118812  0.63133515  1
  N  N97  1  0.84605075  0.51881517  0.36866254  1
  O  O98  1  0.99459203  0.19723568  0.98029655  1
  O  O99  1  0.00540689  0.80276334  0.01970381  1
  O  O100  1  0.11313285  0.27044713  0.80325876  1
  O  O101  1  0.88686714  0.72955343  0.19674287  1
  O  O102  1  0.48285073  0.31196840  0.51663569  1
  O  O103  1  0.51714770  0.68803443  0.48336497  1
  O  O104  1  0.63887676  0.18626074  0.66003642  1
  O  O105  1  0.36112043  0.81374286  0.33996532  1
