# generated using pymatgen
data_MnCrH40C40(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08336648
_cell_length_b   12.19431745
_cell_length_c   11.39841925
_cell_angle_alpha   79.77973452
_cell_angle_beta   80.93270838
_cell_angle_gamma   70.86199052
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrH40C40(N2O)8
_chemical_formula_sum   'Mn1 Cr1 H40 C40 N16 O8'
_cell_volume   1038.62577545
_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  0.00000014  -0.00000118  -0.00000094  1
  Cr  Cr1  1  0.49999805  0.50000294  0.50000102  1
  H  H2  1  0.22937594  0.43703520  0.83268735  1
  H  H3  1  0.77062459  0.56296343  0.16731565  1
  H  H4  1  0.82517748  0.37002739  0.10242079  1
  H  H5  1  0.17482350  0.62997114  0.89758259  1
  H  H6  1  0.70094008  0.09639812  0.82712376  1
  H  H7  1  0.29906291  0.90360239  0.17287381  1
  H  H8  1  0.65274889  0.10253517  0.19190104  1
  H  H9  1  0.34725208  0.89746627  0.80809576  1
  H  H10  1  0.33233978  0.21257562  0.11693045  1
  H  H11  1  0.66766089  0.78742245  0.88306642  1
  H  H12  1  0.37107294  0.18773832  0.88144861  1
  H  H13  1  0.62892973  0.81225903  0.11854926  1
  H  H14  1  0.08666224  0.15902475  0.75610477  1
  H  H15  1  0.91333667  0.84097454  0.24389989  1
  H  H16  1  0.97339369  0.84172726  0.81124746  1
  H  H17  1  0.02661432  0.15827040  0.18874267  1
  H  H18  1  0.10085955  0.87566716  0.57896743  1
  H  H19  1  0.89915510  0.12433737  0.42102541  1
  H  H20  1  0.14938882  0.08781883  0.54558288  1
  H  H21  1  0.85061765  0.91218761  0.45441889  1
  H  H22  1  0.43172280  0.18821016  0.36381842  1
  H  H23  1  0.56827655  0.81179446  0.63617948  1
  H  H24  1  0.61603641  0.98437759  0.69287087  1
  H  H25  1  0.38396842  0.01562625  0.30712494  1
  H  H26  1  0.36932202  0.69835358  0.28067465  1
  H  H27  1  0.63066984  0.30165104  0.71932679  1
  H  H28  1  0.55699179  0.33546648  0.29349479  1
  H  H29  1  0.44301335  0.66453870  0.70650817  1
  H  H30  1  0.41712542  0.42097400  0.08325384  1
  H  H31  1  0.58287895  0.57902694  0.91674903  1
  H  H32  1  0.30631242  0.65660723  0.07656003  1
  H  H33  1  0.69367996  0.34339399  0.92344238  1
  H  H34  1  0.20233620  0.39528092  0.64984650  1
  H  H35  1  0.79767084  0.60472049  0.35015161  1
  H  H36  1  0.14696773  0.72587060  0.46110101  1
  H  H37  1  0.85301914  0.27413497  0.53890335  1
  H  H38  1  0.82461903  0.72060545  0.56586581  1
  H  H39  1  0.17537038  0.27938928  0.43413711  1
  H  H40  1  0.87815284  0.50823760  0.70026285  1
  H  H41  1  0.12185053  0.49175589  0.29973757  1
  C  C42  1  0.04694853  0.27722173  0.91169903  1
  C  C43  1  0.95305185  0.72277763  0.08830286  1
  C  C44  1  0.02651156  0.39031633  0.95972220  1
  C  C45  1  0.97348848  0.60968269  0.04028038  1
  C  C46  1  0.12622307  0.46432241  0.90532150  1
  C  C47  1  0.87377728  0.53567647  0.09468146  1
  C  C48  1  0.90212553  0.42699897  0.05681776  1
  C  C49  1  0.09787484  0.57299982  0.94318517  1
  C  C50  1  0.61757343  0.11161503  0.10225231  1
  C  C51  1  0.38242690  0.88838496  0.89774539  1
  C  C52  1  0.45206456  0.16764794  0.06373375  1
  C  C53  1  0.54793581  0.83235122  0.93626323  1
  C  C54  1  0.47044879  0.15695655  0.94326739  1
  C  C55  1  0.52955294  0.84304136  0.05672912  1
  C  C56  1  0.00995916  0.91720508  0.76506172  1
  C  C57  1  0.99004798  0.08279331  0.23493211  1
  C  C58  1  0.07460774  0.93507111  0.64574875  1
  C  C59  1  0.92540200  0.06493156  0.35424676  1
  C  C60  1  0.10459353  0.04238177  0.62870259  1
  C  C61  1  0.89541180  0.95762266  0.37129701  1
  C  C62  1  0.55000801  0.20745664  0.57272799  1
  C  C63  1  0.44999062  0.79254760  0.42727141  1
  C  C64  1  0.52299909  0.10161261  0.53449841  1
  C  C65  1  0.47700264  0.89839160  0.46549862  1
  C  C66  1  0.45946842  0.10621397  0.42539224  1
  C  C67  1  0.54053276  0.89379050  0.57460490  1
  C  C68  1  0.56383071  0.99287125  0.60790173  1
  C  C69  1  0.43617225  0.00713250  0.39209483  1
  C  C70  1  0.49191179  0.42618055  0.26085922  1
  C  C71  1  0.50808943  0.57382398  0.73914357  1
  C  C72  1  0.42657384  0.47070861  0.15127586  1
  C  C73  1  0.57342648  0.52929397  0.84872748  1
  C  C74  1  0.36383558  0.59124627  0.14897552  1
  C  C75  1  0.63615756  0.40875615  0.85102726  1
  C  C76  1  0.11499357  0.65483374  0.52167691  1
  C  C77  1  0.88499862  0.34516886  0.47832689  1
  C  C78  1  0.95041151  0.65300628  0.57808799  1
  C  C79  1  0.04958147  0.34699231  0.42191474  1
  C  C80  1  0.97518740  0.54390374  0.64532942  1
  C  C81  1  0.02481376  0.45609357  0.35467164  1
  N  N82  1  0.73357044  0.06842015  0.01004342  1
  N  N83  1  0.26643189  0.93157876  0.98995524  1
  N  N84  1  0.63937563  0.09548756  0.91305297  1
  N  N85  1  0.36062660  0.90451055  0.08694550  1
  N  N86  1  0.00145379  1.00931570  0.81982271  1
  N  N87  1  0.99854694  -0.00931841  0.18017635  1
  N  N88  1  0.06148266  0.08528456  0.73362322  1
  N  N89  1  0.93851650  0.91471610  0.26637832  1
  N  N90  1  0.46614160  0.51524937  0.32526526  1
  N  N91  1  0.53385510  0.48475603  0.67473697  1
  N  N92  1  0.38440311  0.61606308  0.25479276  1
  N  N93  1  0.61558631  0.38394092  0.74521048  1
  N  N94  1  0.23735032  0.55000027  0.55121031  1
  N  N95  1  0.76264637  0.45000567  0.44879143  1
  N  N96  1  0.14773414  0.48420187  0.63003031  1
  N  N97  1  0.85226785  0.51579991  0.36997087  1
  O  O98  1  0.99537033  0.19748291  0.98001341  1
  O  O99  1  0.00462593  0.80251720  0.01998593  1
  O  O100  1  0.11387076  0.27084622  0.80289168  1
  O  O101  1  0.88613331  0.72915354  0.19711081  1
  O  O102  1  0.48367757  0.30973675  0.51655566  1
  O  O103  1  0.51631862  0.69026862  0.48344618  1
  O  O104  1  0.64077033  0.18564138  0.66044832  1
  O  O105  1  0.35922721  0.81436215  0.33955174  1
