# generated using pymatgen
data_Mn2CrFeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11736991
_cell_length_b   10.13702540
_cell_length_c   12.55526297
_cell_angle_alpha   90.03359187
_cell_angle_beta   89.97641028
_cell_angle_gamma   106.44728032
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrFeH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Fe1 H28 C28 N32'
_cell_volume   990.84730056
_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
  Cr  Cr0  1  0.15157107  0.12679551  0.55588032  1
  Mn  Mn1  1  0.34134203  0.86648325  0.05229562  1
  Mn  Mn2  1  0.83973235  0.86654617  0.44587041  1
  Fe  Fe3  1  0.66439416  0.12459694  0.94234530  1
  H  H4  1  0.11220371  0.44998619  0.58185105  1
  H  H5  1  0.38469433  0.55062997  0.08078040  1
  H  H6  1  0.88432970  0.55035812  0.41895164  1
  H  H7  1  0.61268868  0.45058829  0.91999088  1
  H  H8  1  0.18489177  0.64738811  0.46102162  1
  H  H9  1  0.31193861  0.35017890  0.96022121  1
  H  H10  1  0.81188691  0.35003017  0.53940863  1
  H  H11  1  0.68610278  0.64885016  0.03953213  1
  H  H12  1  0.38664424  0.65136480  0.30513386  1
  H  H13  1  0.11139378  0.34548738  0.80463606  1
  H  H14  1  0.61204704  0.34572378  0.69561543  1
  H  H15  1  0.88920958  0.65353205  0.19553947  1
  H  H16  1  0.49966808  0.44746232  0.27970491  1
  H  H17  1  0.99806286  0.55010519  0.77827573  1
  H  H18  1  0.49896362  0.55039658  0.72218430  1
  H  H19  1  0.00172955  0.44856613  0.22065613  1
  H  H20  1  0.52505396  0.22845542  0.34733020  1
  H  H21  1  0.97155122  0.76768149  0.84617199  1
  H  H22  1  0.47230447  0.76769514  0.65457845  1
  H  H23  1  0.02639359  0.22941360  0.15224486  1
  H  H24  1  0.49658169  0.00231184  0.37750347  1
  H  H25  1  1.00330984  0.99813229  0.87717930  1
  H  H26  1  0.50132620  0.99778524  0.62266105  1
  H  H27  1  -0.00246859  0.00441126  0.12243593  1
  H  H28  1  0.33048759  0.89945938  0.45949708  1
  H  H29  1  0.17031392  0.09798326  0.95995116  1
  H  H30  1  0.66817768  0.09762068  0.53989978  1
  H  H31  1  0.83167165  0.90098476  0.04076060  1
  C  C32  1  0.19287851  0.44767084  0.51258755  1
  C  C33  1  0.30592298  0.55111084  0.01049422  1
  C  C34  1  0.80551478  0.55084267  0.48926993  1
  C  C35  1  0.69326039  0.44864584  0.98932952  1
  C  C36  1  0.23720014  0.56150448  0.44510786  1
  C  C37  1  0.26083535  0.43651186  0.94366254  1
  C  C38  1  0.76093007  0.43639696  0.55622047  1
  C  C39  1  0.73817488  0.56311775  0.05636070  1
  C  C40  1  0.34857728  0.56379702  0.35910887  1
  C  C41  1  0.14970604  0.43398443  0.85765318  1
  C  C42  1  0.65015685  0.43402747  0.64244124  1
  C  C43  1  0.85001738  0.56554638  0.14200129  1
  C  C44  1  0.41285998  0.45239499  0.34480022  1
  C  C45  1  0.08568234  0.54539725  0.84289503  1
  C  C46  1  0.58623336  0.54551311  0.65734866  1
  C  C47  1  0.91394536  0.45405223  0.15631625  1
  C  C48  1  0.36008757  0.33930441  0.41468219  1
  C  C49  1  0.13929333  0.65896489  0.91210891  1
  C  C50  1  0.63939825  0.65885923  0.58793158  1
  C  C51  1  0.85999416  0.34067763  0.08662386  1
  C  C52  1  0.42084059  0.22030839  0.40481277  1
  C  C53  1  0.07635284  0.77712549  0.90331692  1
  C  C54  1  0.57648149  0.77702999  0.59692682  1
  C  C55  1  0.92168427  0.22197972  0.09552140  1
  C  C56  1  0.43272771  -0.00339824  0.45543135  1
  C  C57  1  0.06614551  1.00197909  0.95522816  1
  C  C58  1  0.56460539  1.00123081  0.54475317  1
  C  C59  1  0.93411612  -0.00196915  0.04435192  1
  N  N60  1  0.24692943  0.33472969  0.49721496  1
  N  N61  1  0.25471455  0.66483750  0.99279691  1
  N  N62  1  0.75425032  0.66446108  0.50691699  1
  N  N63  1  0.74679477  0.33607625  0.00488593  1
  N  N64  1  0.35251999  0.10991358  0.46106283  1
  N  N65  1  0.14298136  0.88682628  0.96009206  1
  N  N66  1  0.64233459  0.88669736  0.53998198  1
  N  N67  1  0.85505288  0.11172539  0.03890781  1
  N  N68  1  0.03541059  0.92190350  0.57817717  1
  N  N69  1  0.48026477  0.08623023  0.06763303  1
  N  N70  1  0.98218722  0.09140014  0.43170945  1
  N  N71  1  0.53012214  0.91862425  0.92213902  1
  N  N72  1  0.09734276  0.83725720  0.61747422  1
  N  N73  1  0.41952030  0.17115080  0.10772998  1
  N  N74  1  0.91800605  0.17276930  0.38945081  1
  N  N75  1  0.59608345  0.83604385  0.88311552  1
  N  N76  1  0.15639560  0.75320573  0.64962677  1
  N  N77  1  0.35185735  0.24694672  0.14557569  1
  N  N78  1  0.84897297  0.24761154  0.35200414  1
  N  N79  1  0.65859316  0.75368462  0.85109657  1
  N  N80  1  0.95627126  0.18859424  0.65386331  1
  N  N81  1  0.53080717  0.80284857  0.14903681  1
  N  N82  1  0.03213191  0.80271052  0.35118160  1
  N  N83  1  0.45576637  0.19481063  0.84656938  1
  N  N84  1  0.87182158  0.15446032  0.73173767  1
  N  N85  1  0.62080506  0.84192803  0.22406373  1
  N  N86  1  0.12121196  0.84219558  0.27576603  1
  N  N87  1  0.37392398  0.16039983  0.76840743  1
  N  N88  1  0.78009441  0.12507460  0.80610056  1
  N  N89  1  0.71697815  0.88359400  0.29491122  1
  N  N90  1  0.21590535  0.88414067  0.20424620  1
  N  N91  1  0.29213453  0.13755354  0.68914148  1
