# generated using pymatgen
data_Mn2CrCoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11721099
_cell_length_b   10.13683036
_cell_length_c   12.55413463
_cell_angle_alpha   90.02122531
_cell_angle_beta   90.01723388
_cell_angle_gamma   106.45091722
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrCoH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Co1 H28 C28 N32'
_cell_volume   990.70127282
_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
  Co  Co0  1  0.15748930  0.12750355  0.55947346  1
  Mn  Mn1  1  0.34337075  0.86751415  0.05151276  1
  Cr  Cr2  1  0.85023988  0.87413989  0.44736120  1
  Mn  Mn3  1  0.65681341  0.13356852  0.94470048  1
  H  H4  1  0.11217621  0.44880881  0.58143822  1
  H  H5  1  0.38452627  0.55075304  0.08135310  1
  H  H6  1  0.88610930  0.55089539  0.41695235  1
  H  H7  1  0.61349560  0.44959119  0.91935632  1
  H  H8  1  0.18453943  0.64752939  0.46174127  1
  H  H9  1  0.31175628  0.35060031  0.96101289  1
  H  H10  1  0.81345540  0.35274485  0.53685550  1
  H  H11  1  0.68688068  0.64946080  0.04002433  1
  H  H12  1  0.38703883  0.65284105  0.30628189  1
  H  H13  1  0.11108011  0.34569990  0.80506464  1
  H  H14  1  0.61401983  0.34920234  0.69422859  1
  H  H15  1  0.88939374  0.65450647  0.19480516  1
  H  H16  1  0.49856503  0.44724586  0.27899088  1
  H  H17  1  0.99967028  0.55103332  0.77775862  1
  H  H18  1  0.50164927  0.55356034  0.72035497  1
  H  H19  1  0.00093755  0.44902155  0.22152758  1
  H  H20  1  0.52584498  0.23078099  0.34802104  1
  H  H21  1  0.97140245  0.76842098  0.84623694  1
  H  H22  1  0.47288869  0.77140358  0.65177395  1
  H  H23  1  0.02782789  0.23205795  0.15319046  1
  H  H24  1  0.49453589  0.00163120  0.37767021  1
  H  H25  1  1.00489747  0.99953924  0.87717665  1
  H  H26  1  0.50570412  1.00028823  0.62315918  1
  H  H27  1  -0.00483069  0.00112486  0.12236375  1
  H  H28  1  0.33064078  0.90096474  0.46255001  1
  H  H29  1  0.17134782  0.09822090  0.96119716  1
  H  H30  1  0.66948950  0.10180064  0.53911582  1
  H  H31  1  0.82916872  0.90246693  0.03826981  1
  C  C32  1  0.19231853  0.44712831  0.51194556  1
  C  C33  1  0.30608866  0.55158249  0.01089772  1
  C  C34  1  0.80661651  0.55323797  0.48677267  1
  C  C35  1  0.69285262  0.44878992  0.98936146  1
  C  C36  1  0.23635578  0.56165864  0.44488815  1
  C  C37  1  0.26094344  0.43696836  0.94408153  1
  C  C38  1  0.76237068  0.43903500  0.55382544  1
  C  C39  1  0.73830012  0.56326792  0.05635077  1
  C  C40  1  0.34780922  0.56417689  0.35906677  1
  C  C41  1  0.15002445  0.43443098  0.85787769  1
  C  C42  1  0.65190227  0.43681586  0.64026596  1
  C  C43  1  0.85009939  0.56580878  0.14202660  1
  C  C44  1  0.41173752  0.45272495  0.34391597  1
  C  C45  1  0.08657651  0.54614083  0.84279702  1
  C  C46  1  0.58794842  0.54825959  0.65507477  1
  C  C47  1  0.91357987  0.45408933  0.15680808  1
  C  C48  1  0.35858080  0.33952037  0.41367389  1
  C  C49  1  0.13967969  0.65965096  0.91212403  1
  C  C50  1  0.64036169  0.66166450  0.58553773  1
  C  C51  1  0.85982846  0.34073607  0.08738326  1
  C  C52  1  0.42074529  0.22045920  0.40482944  1
  C  C53  1  0.07656528  0.77780107  0.90320767  1
  C  C54  1  0.57877424  0.78044324  0.59534555  1
  C  C55  1  0.92282139  0.22253857  0.09606797  1
  C  C56  1  0.43318012  -0.00234900  0.45629083  1
  C  C57  1  0.06674561  1.00261153  0.95550589  1
  C  C58  1  0.56752848  1.00464081  0.54477044  1
  C  C59  1  0.93339678  -0.00169122  0.04403785  1
  N  N60  1  0.24669373  0.33535879  0.49548428  1
  N  N61  1  0.25488029  0.66539938  0.99323160  1
  N  N62  1  0.75378542  0.66648671  0.50337193  1
  N  N63  1  0.74480021  0.33528319  0.00628401  1
  N  N64  1  0.35405394  0.11107475  0.46109548  1
  N  N65  1  0.14321762  0.88737140  0.96006265  1
  N  N66  1  0.64765982  0.89137765  0.53999227  1
  N  N67  1  0.85628275  0.11325583  0.03890285  1
  N  N68  1  0.01292814  0.90954659  0.57239399  1
  N  N69  1  0.46396718  0.08376929  0.07321113  1
  N  N70  1  0.97331882  0.07746895  0.42426496  1
  N  N71  1  0.53582682  0.91587226  0.92419895  1
  N  N72  1  0.08545358  0.83268207  0.61305489  1
  N  N73  1  0.40366216  0.16738077  0.11507203  1
  N  N74  1  0.91403452  0.16507430  0.38756960  1
  N  N75  1  0.59669440  0.83174607  0.88369665  1
  N  N76  1  0.15851748  0.75895381  0.64805371  1
  N  N77  1  0.34265894  0.24901367  0.15037770  1
  N  N78  1  0.84963786  0.24590560  0.35495188  1
  N  N79  1  0.65805725  0.74962688  0.84963904  1
  N  N80  1  0.96986266  0.19253258  0.64641192  1
  N  N81  1  0.54431689  0.80935677  0.15574687  1
  N  N82  1  0.03766809  0.81058059  0.35620758  1
  N  N83  1  0.46295736  0.19451361  0.84192035  1
  N  N84  1  0.88371638  0.15636986  0.72318278  1
  N  N85  1  0.62702744  0.83935588  0.23413407  1
  N  N86  1  0.12059045  0.84461359  0.27729796  1
  N  N87  1  0.37296317  0.15716821  0.76660219  1
  N  N88  1  0.79259032  0.12448465  0.79766038  1
  N  N89  1  0.70925293  0.85948522  0.31323797  1
  N  N90  1  0.20847339  0.87433049  0.20181727  1
  N  N91  1  0.27860049  0.11951393  0.69463395  1
