# generated using pymatgen
data_Mn2CrCoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11786516
_cell_length_b   10.13585160
_cell_length_c   12.55718903
_cell_angle_alpha   90.03483792
_cell_angle_beta   89.99194405
_cell_angle_gamma   106.44294616
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrCoH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Co1 H28 C28 N32'
_cell_volume   990.96715251
_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  0.16072276  0.13302150  0.55413883  1
  Co  Co1  1  0.35148300  0.87565221  0.05112621  1
  Cr  Cr2  1  0.84747421  0.87121550  0.44350495  1
  Mn  Mn3  1  0.65900669  0.13293488  0.94837240  1
  H  H4  1  0.11425411  0.44912498  0.57982628  1
  H  H5  1  0.38558167  0.54968458  0.08077324  1
  H  H6  1  0.88572561  0.54896133  0.41783404  1
  H  H7  1  0.61371575  0.44883773  0.92053011  1
  H  H8  1  0.18642778  0.64949816  0.45954990  1
  H  H9  1  0.31212343  0.35113631  0.96142256  1
  H  H10  1  0.81300144  0.35136404  0.53879261  1
  H  H11  1  0.68744466  0.64964823  0.04042403  1
  H  H12  1  0.38822631  0.65500306  0.30408954  1
  H  H13  1  0.11171778  0.34687718  0.80468838  1
  H  H14  1  0.61295890  0.34836838  0.69533779  1
  H  H15  1  0.88985768  0.65529723  0.19543468  1
  H  H16  1  0.50225940  0.45067390  0.27779502  1
  H  H17  1  0.99891825  0.55183352  0.77890366  1
  H  H18  1  0.50059987  0.55277852  0.72098395  1
  H  H19  1  0.00389708  0.45100378  0.22139769  1
  H  H20  1  0.52724711  0.23250662  0.34436280  1
  H  H21  1  0.97385043  0.76939622  0.84718226  1
  H  H22  1  0.47555907  0.77196092  0.65324187  1
  H  H23  1  0.02900593  0.23269457  0.15426149  1
  H  H24  1  0.50027833  0.00362348  0.37654902  1
  H  H25  1  1.00266076  0.99674089  0.87815966  1
  H  H26  1  0.50202571  0.99729428  0.62156361  1
  H  H27  1  -0.00055705  0.00291621  0.12320920  1
  H  H28  1  0.33296971  0.90300562  0.45824431  1
  H  H29  1  0.17049293  0.09823506  0.96028405  1
  H  H30  1  0.66965742  0.10014156  0.54059467  1
  H  H31  1  0.83159774  0.90250897  0.04130518  1
  C  C32  1  0.19382641  0.44902318  0.50982604  1
  C  C33  1  0.30570675  0.55209178  0.01130764  1
  C  C34  1  0.80520216  0.55110358  0.48716797  1
  C  C35  1  0.69354186  0.44872726  0.99037640  1
  C  C36  1  0.23827247  0.56355620  0.44293415  1
  C  C37  1  0.26086252  0.43728334  0.94452424  1
  C  C38  1  0.76115988  0.43746237  0.55481952  1
  C  C39  1  0.73902203  0.56354468  0.05697215  1
  C  C40  1  0.34998995  0.56652238  0.35713937  1
  C  C41  1  0.15002490  0.43482714  0.85835966  1
  C  C42  1  0.65062512  0.43570427  0.64115771  1
  C  C43  1  0.85124197  0.56670163  0.14251154  1
  C  C44  1  0.41434446  0.45521340  0.34232378  1
  C  C45  1  0.08597829  0.54626253  0.84367466  1
  C  C46  1  0.58665487  0.54727446  0.65562216  1
  C  C47  1  0.91552057  0.45540940  0.15712938  1
  C  C48  1  0.36089307  0.34161581  0.41151109  1
  C  C49  1  0.13941182  0.65955513  0.91350956  1
  C  C50  1  0.63887894  0.66006476  0.58542075  1
  C  C51  1  0.86132151  0.34147080  0.08827098  1
  C  C52  1  0.42362764  0.22336733  0.40235228  1
  C  C53  1  0.07784410  0.77877805  0.90465036  1
  C  C54  1  0.57866432  0.77948898  0.59511500  1
  C  C55  1  0.92420481  0.22332936  0.09710966  1
  C  C56  1  0.43634272  -0.00050134  0.45425101  1
  C  C57  1  0.06678479  1.00206852  0.95600830  1
  C  C58  1  0.56707670  1.00307067  0.54403978  1
  C  C59  1  0.93554774  -0.00127727  0.04548437  1
  N  N60  1  0.24604446  0.33582575  0.49253913  1
  N  N61  1  0.25258303  0.66456838  0.99487720  1
  N  N62  1  0.75092180  0.66385804  0.50262471  1
  N  N63  1  0.74552586  0.33529135  0.00769969  1
  N  N64  1  0.35845294  0.11384627  0.45952822  1
  N  N65  1  0.14523816  0.88795094  0.96126787  1
  N  N66  1  0.64645977  0.88928884  0.53817830  1
  N  N67  1  0.85807471  0.11361218  0.04026434  1
  N  N68  1  0.01722746  0.90853995  0.56921040  1
  N  N69  1  0.47134581  0.07908286  0.07696659  1
  N  N70  1  0.96530420  0.07816572  0.42187652  1
  N  N71  1  0.52715606  0.91686200  0.92773002  1
  N  N72  1  0.08135050  0.82661375  0.61069048  1
  N  N73  1  0.40286512  0.16003209  0.11520466  1
  N  N74  1  0.90326404  0.16279820  0.38271843  1
  N  N75  1  0.58428959  0.82848661  0.89030127  1
  N  N76  1  0.15049644  0.75128379  0.64734759  1
  N  N77  1  0.34232103  0.24359617  0.14778206  1
  N  N78  1  0.84500533  0.24737711  0.35059699  1
  N  N79  1  0.64855792  0.74886298  0.85470463  1
  N  N80  1  0.96857799  0.19764933  0.64889345  1
  N  N81  1  0.53817515  0.80553008  0.15205567  1
  N  N82  1  0.03218894  0.80617782  0.35143609  1
  N  N83  1  0.46908379  0.19679452  0.85118734  1
  N  N84  1  0.87943666  0.15816472  0.72425096  1
  N  N85  1  0.62299991  0.84080847  0.22889946  1
  N  N86  1  0.12187014  0.84443429  0.27539932  1
  N  N87  1  0.37958234  0.15781056  0.77595991  1
  N  N88  1  0.78397106  0.11665059  0.79542577  1
  N  N89  1  0.70726544  0.86472159  0.30739932  1
  N  N90  1  0.21773889  0.88273517  0.20480025  1
  N  N91  1  0.28387559  0.11691834  0.70474266  1
