# generated using pymatgen
data_Mn3CoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11920858
_cell_length_b   10.13526939
_cell_length_c   12.56185860
_cell_angle_alpha   90.03050982
_cell_angle_beta   89.99292142
_cell_angle_gamma   106.43344053
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3CoH28(C7N8)4
_chemical_formula_sum   'Mn3 Co1 H28 C28 N32'
_cell_volume   991.49133351
_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  0.15793206  0.13191886  0.55227018  1
  Mn  Mn1  1  0.34034702  0.86591082  0.05640870  1
  Co  Co2  1  0.84273932  0.86735734  0.44427200  1
  Mn  Mn3  1  0.66014766  0.13432203  0.94690161  1
  H  H4  1  0.11380217  0.44900491  0.57858992  1
  H  H5  1  0.38418612  0.54936388  0.07922238  1
  H  H6  1  0.88530874  0.54977337  0.41999536  1
  H  H7  1  0.61397990  0.44949916  0.92187960  1
  H  H8  1  0.18726196  0.64969742  0.45935827  1
  H  H9  1  0.31076625  0.34927557  0.95964085  1
  H  H10  1  0.81173270  0.35057230  0.53898911  1
  H  H11  1  0.68788876  0.65022828  0.04138289  1
  H  H12  1  0.38920997  0.65472340  0.30319504  1
  H  H13  1  0.11066579  0.34548078  0.80264494  1
  H  H14  1  0.61194276  0.34694978  0.69643894  1
  H  H15  1  0.88978604  0.65524530  0.19724286  1
  H  H16  1  0.50459283  0.45156383  0.27802964  1
  H  H17  1  0.99623921  0.54924112  0.77754409  1
  H  H18  1  0.49687593  0.55061244  0.72176226  1
  H  H19  1  0.00524024  0.45200098  0.22216159  1
  H  H20  1  0.52765595  0.23229001  0.34318081  1
  H  H21  1  0.97414286  0.76868857  0.84280626  1
  H  H22  1  0.47418480  0.76894635  0.65539320  1
  H  H23  1  0.02701565  0.23179594  0.15748929  1
  H  H24  1  0.50396350  0.00692776  0.37661096  1
  H  H25  1  0.99709761  0.99336318  0.87782721  1
  H  H26  1  0.49827865  0.99273344  0.62173743  1
  H  H27  1  0.00337586  0.00695407  0.12306247  1
  H  H28  1  0.33396124  0.90420918  0.45533087  1
  H  H29  1  0.16776934  0.09545410  0.95633920  1
  H  H30  1  0.66842939  0.09655853  0.54318970  1
  H  H31  1  0.83275972  0.90468687  0.04478922  1
  C  C32  1  0.19524696  0.44926031  0.50947748  1
  C  C33  1  0.30306988  0.54960954  0.01003318  1
  C  C34  1  0.80408951  0.55108493  0.48902067  1
  C  C35  1  0.69575436  0.44973133  0.99081150  1
  C  C36  1  0.23981839  0.56404779  0.44279050  1
  C  C37  1  0.25853790  0.43503884  0.94298856  1
  C  C38  1  0.75988753  0.43648994  0.55600521  1
  C  C39  1  0.74057616  0.56456328  0.05754257  1
  C  C40  1  0.35178742  0.56708224  0.35716544  1
  C  C41  1  0.14754568  0.43280933  0.85695546  1
  C  C42  1  0.64881623  0.43415589  0.64207106  1
  C  C43  1  0.85256287  0.56763339  0.14318682  1
  C  C44  1  0.41703284  0.45620343  0.34275827  1
  C  C45  1  0.08295189  0.54405299  0.84259233  1
  C  C46  1  0.58366169  0.54506005  0.65680473  1
  C  C47  1  0.91772420  0.45668374  0.15747101  1
  C  C48  1  0.36385938  0.34262856  0.41191089  1
  C  C49  1  0.13592281  0.65724152  0.91225068  1
  C  C50  1  0.63648882  0.65808719  0.58704135  1
  C  C51  1  0.86451904  0.34307509  0.08826601  1
  C  C52  1  0.42548619  0.22402132  0.40204330  1
  C  C53  1  0.07509834  0.77629075  0.90238941  1
  C  C54  1  0.57579613  0.77754293  0.59642709  1
  C  C55  1  0.92572054  0.22429961  0.09815070  1
  C  C56  1  0.43747663  0.00059038  0.45357349  1
  C  C57  1  0.06360810  0.99945751  0.95478653  1
  C  C58  1  0.56499133  1.00016221  0.54470501  1
  C  C59  1  0.93671901  0.00079766  0.04611174  1
  N  N60  1  0.24899854  0.33663752  0.49298706  1
  N  N61  1  0.24962168  0.66243156  0.99391551  1
  N  N62  1  0.74836567  0.66247389  0.50509877  1
  N  N63  1  0.74981219  0.33714081  0.00704557  1
  N  N64  1  0.36021224  0.11524362  0.45989027  1
  N  N65  1  0.13996888  0.88428476  0.96121771  1
  N  N66  1  0.64171904  0.88543063  0.53834295  1
  N  N67  1  0.86028576  0.11597862  0.03961297  1
  N  N68  1  0.02460439  0.91477391  0.57165351  1
  N  N69  1  0.46949157  0.08590124  0.07407246  1
  N  N70  1  0.97182204  0.08253036  0.42484443  1
  N  N71  1  0.53141075  0.91445059  0.92745830  1
  N  N72  1  0.08283500  0.82750187  0.60940608  1
  N  N73  1  0.40983714  0.17077599  0.11452792  1
  N  N74  1  0.90614611  0.16434569  0.38548303  1
  N  N75  1  0.59034818  0.82937989  0.88664658  1
  N  N76  1  0.14777878  0.74876012  0.64574144  1
  N  N77  1  0.34800599  0.25267432  0.14854322  1
  N  N78  1  0.84723481  0.24853273  0.35223949  1
  N  N79  1  0.65127281  0.74715322  0.85221884  1
  N  N80  1  0.96957108  0.19880702  0.64978105  1
  N  N81  1  0.53191516  0.79892332  0.15549971  1
  N  N82  1  0.02790198  0.80027429  0.35140949  1
  N  N83  1  0.47151881  0.20045558  0.84975242  1
  N  N84  1  0.87606078  0.15926885  0.72316858  1
  N  N85  1  0.62723357  0.83854885  0.22825744  1
  N  N86  1  0.12027304  0.84147023  0.27805721  1
  N  N87  1  0.37696849  0.15992613  0.77692303  1
  N  N88  1  0.77879785  0.11569984  0.79319401  1
  N  N89  1  0.72753452  0.88700986  0.29575152  1
  N  N90  1  0.21960069  0.88447993  0.20877694  1
  N  N91  1  0.27882955  0.11569971  0.70747743  1
