# generated using pymatgen
data_Mn2CrCoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11709518
_cell_length_b   10.13699050
_cell_length_c   12.55375390
_cell_angle_alpha   90.04724581
_cell_angle_beta   89.95732449
_cell_angle_gamma   106.45174938
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrCoH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Co1 H28 C28 N32'
_cell_volume   990.66817362
_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  0.15689532  0.13367007  0.55542371  1
  Cr  Cr1  1  0.35040646  0.87402704  0.05247712  1
  Mn  Mn2  1  0.84344542  0.86739866  0.44870884  1
  Co  Co3  1  0.65774728  0.12797027  0.94060567  1
  H  H4  1  0.11320364  0.44913088  0.58123988  1
  H  H5  1  0.38614107  0.55110407  0.08281292  1
  H  H6  1  0.88476552  0.55120830  0.41817277  1
  H  H7  1  0.61222191  0.44884786  0.91881691  1
  H  H8  1  0.18635497  0.64902924  0.46061108  1
  H  H9  1  0.31321663  0.35268997  0.96286817  1
  H  H10  1  0.81213649  0.35100998  0.53838300  1
  H  H11  1  0.68498526  0.64785698  0.03864932  1
  H  H12  1  0.38807147  0.65382565  0.30545830  1
  H  H13  1  0.11353332  0.34891556  0.80572672  1
  H  H14  1  0.61187050  0.34617770  0.69458430  1
  H  H15  1  0.88824248  0.65337068  0.19360704  1
  H  H16  1  0.49986090  0.44843110  0.27851334  1
  H  H17  1  1.00156774  0.55346011  0.77947757  1
  H  H18  1  0.50036596  0.55139922  0.72220612  1
  H  H19  1  -0.00116126  0.44735047  0.22101663  1
  H  H20  1  0.52773555  0.23179285  0.34713906  1
  H  H21  1  0.97303336  0.77135938  0.84804012  1
  H  H22  1  0.47119700  0.76854918  0.65336475  1
  H  H23  1  0.02575539  0.23086992  0.15196020  1
  H  H24  1  0.49467834  0.00071999  0.37758408  1
  H  H25  1  1.00651276  1.00090398  0.87670810  1
  H  H26  1  0.50518695  0.99996037  0.62276339  1
  H  H27  1  -0.00628692  0.00093034  0.12209090  1
  H  H28  1  0.32903217  0.90217905  0.46192930  1
  H  H29  1  0.16988436  0.10205606  0.96137175  1
  H  H30  1  0.67128608  0.09837909  0.53850223  1
  H  H31  1  0.83024178  0.90101884  0.03649980  1
  C  C32  1  0.19242002  0.44836025  0.51113182  1
  C  C33  1  0.30663514  0.55332938  0.01299731  1
  C  C34  1  0.80636801  0.55192361  0.48868664  1
  C  C35  1  0.69243649  0.44732636  0.98828688  1
  C  C36  1  0.23763764  0.56276521  0.44413221  1
  C  C37  1  0.26218876  0.43900446  0.94596401  1
  C  C38  1  0.76136942  0.43737825  0.55546530  1
  C  C39  1  0.73678789  0.56196178  0.05535383  1
  C  C40  1  0.34911119  0.56520596  0.35827627  1
  C  C41  1  0.15160749  0.43668510  0.85959868  1
  C  C42  1  0.65065932  0.43487894  0.64180679  1
  C  C43  1  0.84850698  0.56451929  0.14099733  1
  C  C44  1  0.41272198  0.45355865  0.34338180  1
  C  C45  1  0.08782183  0.54819096  0.84476297  1
  C  C46  1  0.58707429  0.54650854  0.65702455  1
  C  C47  1  0.91204578  0.45288579  0.15611824  1
  C  C48  1  0.35928861  0.34029960  0.41283584  1
  C  C49  1  0.14041211  0.66170857  0.91428041  1
  C  C50  1  0.63989190  0.65992248  0.58768013  1
  C  C51  1  0.85862659  0.33959935  0.08635717  1
  C  C52  1  0.42248144  0.22221237  0.40409214  1
  C  C53  1  0.07891645  0.78051152  0.90446653  1
  C  C54  1  0.57666199  0.77800469  0.59657126  1
  C  C55  1  0.92078505  0.22054235  0.09509021  1
  C  C56  1  0.43315450  -0.00195305  0.45599598  1
  C  C57  1  0.06795956  1.00491512  0.95518335  1
  C  C58  1  0.56678761  1.00275360  0.54435846  1
  C  C59  1  0.93294894  -0.00246687  0.04335448  1
  N  N60  1  0.24426776  0.33478550  0.49399936  1
  N  N61  1  0.25396825  0.66662570  0.99636603  1
  N  N62  1  0.75506559  0.66570120  0.50651191  1
  N  N63  1  0.74666939  0.33545978  0.00463221  1
  N  N64  1  0.35583467  0.11291487  0.46114572  1
  N  N65  1  0.14790522  0.89158080  0.95969883  1
  N  N66  1  0.64345763  0.88757146  0.53979556  1
  N  N67  1  0.85405372  0.11110723  0.03881983  1
  N  N68  1  0.03516418  0.91608043  0.57624659  1
  N  N69  1  0.47313937  0.07725811  0.07604293  1
  N  N70  1  0.96393833  0.08371863  0.42683195  1
  N  N71  1  0.51346832  0.90967905  0.92764194  1
  N  N72  1  0.09676117  0.83236785  0.61668134  1
  N  N73  1  0.41399302  0.16509829  0.11256967  1
  N  N74  1  0.90318358  0.16687148  0.38472748  1
  N  N75  1  0.58575761  0.83254200  0.88705986  1
  N  N76  1  0.15828554  0.75029541  0.65051749  1
  N  N77  1  0.34952394  0.24605560  0.14499312  1
  N  N78  1  0.84225659  0.24841734  0.34931449  1
  N  N79  1  0.65909231  0.75895928  0.85199915  1
  N  N80  1  0.96252645  0.19414467  0.65830425  1
  N  N81  1  0.53722467  0.81026720  0.14409536  1
  N  N82  1  0.04576959  0.81058083  0.34502856  1
  N  N83  1  0.46998151  0.19243161  0.85388751  1
  N  N84  1  0.87248107  0.15705503  0.73366653  1
  N  N85  1  0.62045727  0.84416662  0.22291682  1
  N  N86  1  0.12715340  0.83937397  0.26605195  1
  N  N87  1  0.38451604  0.15702832  0.77672961  1
  N  N88  1  0.77787311  0.11766436  0.80533859  1
  N  N89  1  0.70879995  0.87356232  0.29822799  1
  N  N90  1  0.20838091  0.85886748  0.18650238  1
  N  N91  1  0.29362194  0.12565872  0.70210412  1
