# generated using pymatgen
data_MnNiH40C40(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05758070
_cell_length_b   12.23488373
_cell_length_c   11.35787669
_cell_angle_alpha   79.70587567
_cell_angle_beta   80.89589444
_cell_angle_gamma   70.72672818
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiH40C40(N2O)8
_chemical_formula_sum   'Mn1 Ni1 H40 C40 N16 O8'
_cell_volume   1033.97893604
_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
  Ni  Ni0  1  0.00000060  -0.00000052  -0.00000129  1
  Mn  Mn1  1  0.49999674  0.50000353  0.50000108  1
  H  H2  1  0.23588522  0.43919167  0.83389345  1
  H  H3  1  0.76411624  0.56080591  0.16611098  1
  H  H4  1  0.81820794  0.37132915  0.09232692  1
  H  H5  1  0.18179281  0.62866873  0.90767721  1
  H  H6  1  0.70925801  0.09605328  0.82482070  1
  H  H7  1  0.29074688  0.90394543  0.17517657  1
  H  H8  1  0.66120811  0.09975640  0.19130607  1
  H  H9  1  0.33879434  0.90024192  0.80869047  1
  H  H10  1  0.33964215  0.20840507  0.11695796  1
  H  H11  1  0.66036053  0.79159436  0.88303790  1
  H  H12  1  0.37940479  0.18602254  0.87971699  1
  H  H13  1  0.62059814  0.81397411  0.12027935  1
  H  H14  1  0.09485099  0.15664767  0.76377834  1
  H  H15  1  0.90514780  0.84335442  0.23622415  1
  H  H16  1  0.97477799  0.84222990  0.82247407  1
  H  H17  1  0.02522959  0.15776917  0.17751804  1
  H  H18  1  0.09082380  0.87787822  0.58644233  1
  H  H19  1  0.90919140  0.12212549  0.41355204  1
  H  H20  1  0.14884849  0.08635553  0.55276899  1
  H  H21  1  0.85115840  0.91365003  0.44723144  1
  H  H22  1  0.42935723  0.19159404  0.36965990  1
  H  H23  1  0.57064320  0.80840850  0.63033734  1
  H  H24  1  0.62180235  0.97718618  0.69357940  1
  H  H25  1  0.37820481  0.02281486  0.30641573  1
  H  H26  1  0.36855915  0.69865510  0.28082763  1
  H  H27  1  0.63143011  0.30135033  0.71917510  1
  H  H28  1  0.55654991  0.33587702  0.29725258  1
  H  H29  1  0.44345361  0.66412855  0.70275178  1
  H  H30  1  0.41834055  0.41991688  0.08535691  1
  H  H31  1  0.58166425  0.58008397  0.91464682  1
  H  H32  1  0.30862986  0.65520031  0.07620149  1
  H  H33  1  0.69136157  0.34480174  0.92380140  1
  H  H34  1  0.21097566  0.39485130  0.64229565  1
  H  H35  1  0.78903339  0.60515269  0.35770113  1
  H  H36  1  0.14506232  0.72741884  0.46038737  1
  H  H37  1  0.85491720  0.27258920  0.53961769  1
  H  H38  1  0.82334389  0.71797751  0.56493566  1
  H  H39  1  0.17664367  0.28201589  0.43506492  1
  H  H40  1  0.88226502  0.50421821  0.69632795  1
  H  H41  1  0.11773987  0.49577500  0.30367301  1
  C  C42  1  0.04833800  0.28212381  0.90669706  1
  C  C43  1  0.95166092  0.71787603  0.09330508  1
  C  C44  1  0.02695890  0.39357374  0.95529938  1
  C  C45  1  0.97304237  0.60642446  0.04470473  1
  C  C46  1  0.13071201  0.46601941  0.90603600  1
  C  C47  1  0.86929011  0.53397820  0.09396940  1
  C  C48  1  0.89797506  0.42800976  0.05137777  1
  C  C49  1  0.10202686  0.57198757  0.94862721  1
  C  C50  1  0.62688583  0.10884308  0.10122105  1
  C  C51  1  0.37311692  0.89115535  0.89877561  1
  C  C52  1  0.46001100  0.16415722  0.06313426  1
  C  C53  1  0.53999160  0.83584060  0.93686206  1
  C  C54  1  0.47870445  0.15412918  0.94243271  1
  C  C55  1  0.52129857  0.84586810  0.05756387  1
  C  C56  1  0.01087949  0.91731450  0.77493703  1
  C  C57  1  0.98912757  0.08268514  0.22505777  1
  C  C58  1  0.07004277  0.93584911  0.65386370  1
  C  C59  1  0.92996775  0.06415356  0.34613199  1
  C  C60  1  0.10459902  0.04120770  0.63656389  1
  C  C61  1  0.89540695  0.95879628  0.36343521  1
  C  C62  1  0.54852907  0.20309462  0.57912692  1
  C  C63  1  0.45146924  0.79690871  0.42087169  1
  C  C64  1  0.52374610  0.09849397  0.53817317  1
  C  C65  1  0.47625654  0.90150897  0.46182354  1
  C  C66  1  0.45700235  0.10806876  0.42868568  1
  C  C67  1  0.54300142  0.89193351  0.57131101  1
  C  C68  1  0.56764069  0.98838008  0.60842481  1
  C  C69  1  0.43236459  0.01162201  0.39157143  1
  C  C70  1  0.49213106  0.42630851  0.26356636  1
  C  C71  1  0.50786997  0.57369662  0.73643733  1
  C  C72  1  0.42695781  0.47010702  0.15325210  1
  C  C73  1  0.57304137  0.52989579  0.84675163  1
  C  C74  1  0.36567329  0.59049839  0.14945273  1
  C  C75  1  0.63431909  0.40950450  0.85055097  1
  C  C76  1  0.11522220  0.65584715  0.52109438  1
  C  C77  1  0.88476710  0.34415890  0.47890876  1
  C  C78  1  0.95063744  0.65151081  0.57670972  1
  C  C79  1  0.04935417  0.34848790  0.42329376  1
  C  C80  1  0.97830224  0.54134314  0.64162953  1
  C  C81  1  0.02169819  0.45865472  0.35837221  1
  N  N82  1  0.74356993  0.06656980  0.00825477  1
  N  N83  1  0.25643312  0.93342838  0.99174186  1
  N  N84  1  0.64887616  0.09343542  0.91146772  1
  N  N85  1  0.35112629  0.90656259  0.08852920  1
  N  N86  1  0.00756771  1.00817231  0.82922220  1
  N  N87  1  0.99243425  -0.00817279  0.17077553  1
  N  N88  1  0.06953733  0.08224831  0.74289871  1
  N  N89  1  0.93046246  0.91775387  0.25710139  1
  N  N90  1  0.46760931  0.51581375  0.32626703  1
  N  N91  1  0.53238614  0.48419213  0.67373650  1
  N  N92  1  0.38774578  0.61590936  0.25501012  1
  N  N93  1  0.61224348  0.38409546  0.74499339  1
  N  N94  1  0.23889496  0.55226529  0.54979021  1
  N  N95  1  0.76109975  0.44774410  0.45021082  1
  N  N96  1  0.15232996  0.48365740  0.62585175  1
  N  N97  1  0.84767217  0.51634590  0.37415023  1
  O  O98  1  0.98260845  0.20917233  0.97362274  1
  O  O99  1  0.01738616  0.79082807  0.02637686  1
  O  O100  1  0.12889657  0.27014514  0.80071095  1
  O  O101  1  0.87110464  0.72985556  0.19929136  1
  O  O102  1  0.47244026  0.30519478  0.52776148  1
  O  O103  1  0.52755398  0.69480868  0.47223989  1
  O  O104  1  0.64761364  0.18094531  0.66308046  1
  O  O105  1  0.35238305  0.81905800  0.33691926  1
