# generated using pymatgen
data_Mn2CrFeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11837939
_cell_length_b   10.13682437
_cell_length_c   12.55671565
_cell_angle_alpha   90.02531919
_cell_angle_beta   90.00692469
_cell_angle_gamma   106.44969393
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrFeH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Fe1 H28 C28 N32'
_cell_volume   991.05327436
_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
  Fe  Fe0  1  0.16607540  0.12958176  0.55696893  1
  Mn  Mn1  1  0.34044612  0.86744399  0.05124275  1
  Cr  Cr2  1  0.84856619  0.87253529  0.44645111  1
  Mn  Mn3  1  0.66246339  0.13258888  0.94737465  1
  H  H4  1  0.11256838  0.44939769  0.58089826  1
  H  H5  1  0.38419314  0.55030220  0.08094517  1
  H  H6  1  0.88603344  0.55015183  0.41742229  1
  H  H7  1  0.61415347  0.44931955  0.92006295  1
  H  H8  1  0.18502586  0.64799438  0.46107398  1
  H  H9  1  0.31135980  0.35029643  0.96052712  1
  H  H10  1  0.81404527  0.35244458  0.53794681  1
  H  H11  1  0.68722059  0.64933001  0.04034524  1
  H  H12  1  0.38673087  0.65305466  0.30529809  1
  H  H13  1  0.11073417  0.34569304  0.80433311  1
  H  H14  1  0.61450347  0.34903785  0.69496908  1
  H  H15  1  0.88983785  0.65522725  0.19505111  1
  H  H16  1  0.50017266  0.44855218  0.27898472  1
  H  H17  1  0.99808490  0.55007074  0.77800158  1
  H  H18  1  0.50068813  0.55256376  0.72056935  1
  H  H19  1  0.00278839  0.45035927  0.22178927  1
  H  H20  1  0.52555228  0.22878046  0.34707654  1
  H  H21  1  0.97184385  0.76846854  0.84581568  1
  H  H22  1  0.47375933  0.77112482  0.65268210  1
  H  H23  1  0.02905012  0.23241795  0.15437277  1
  H  H24  1  0.49798733  0.00496124  0.37783981  1
  H  H25  1  1.00168419  0.99755937  0.87783732  1
  H  H26  1  0.50362066  0.99815250  0.62297525  1
  H  H27  1  -0.00051276  0.00289447  0.12282252  1
  H  H28  1  0.33327616  0.90084691  0.45947705  1
  H  H29  1  0.17056283  0.09754011  0.95957039  1
  H  H30  1  0.66913803  0.10102190  0.54052159  1
  H  H31  1  0.83059007  0.90266466  0.04101302  1
  C  C32  1  0.19251848  0.44768348  0.51126085  1
  C  C33  1  0.30530097  0.55110485  0.01074704  1
  C  C34  1  0.80628843  0.55252453  0.48708542  1
  C  C35  1  0.69392828  0.44877508  0.98988612  1
  C  C36  1  0.23684100  0.56201967  0.44431247  1
  C  C37  1  0.26030632  0.43658979  0.94382999  1
  C  C38  1  0.76231355  0.43855206  0.55437643  1
  C  C39  1  0.73899098  0.56335442  0.05675390  1
  C  C40  1  0.34831452  0.56471142  0.35837317  1
  C  C41  1  0.14945924  0.43401434  0.85761339  1
  C  C42  1  0.65181471  0.43641949  0.64077237  1
  C  C43  1  0.85087286  0.56635277  0.14243310  1
  C  C44  1  0.41275963  0.45354931  0.34366241  1
  C  C45  1  0.08549313  0.54547144  0.84279872  1
  C  C46  1  0.58712815  0.54753069  0.65529796  1
  C  C47  1  0.91496568  0.45499088  0.15724909  1
  C  C48  1  0.35955214  0.34011044  0.41313072  1
  C  C49  1  0.13879567  0.65891901  0.91211760  1
  C  C50  1  0.63937983  0.66071455  0.58553272  1
  C  C51  1  0.86140367  0.34135862  0.08804630  1
  C  C52  1  0.42135567  0.22166750  0.40407303  1
  C  C53  1  0.07628060  0.77710378  0.90309081  1
  C  C54  1  0.57818758  0.77958119  0.59538022  1
  C  C55  1  0.92439708  0.22329160  0.09714664  1
  C  C56  1  0.43448875  -0.00143003  0.45586612  1
  C  C57  1  0.06599271  1.00175578  0.95542556  1
  C  C58  1  0.56692237  1.00381195  0.54494770  1
  C  C59  1  0.93516215  -0.00155003  0.04522161  1
  N  N60  1  0.24565850  0.33480054  0.49466176  1
  N  N61  1  0.25375600  0.66477600  0.99336349  1
  N  N62  1  0.75289255  0.66564031  0.50333039  1
  N  N63  1  0.74651217  0.33557346  0.00684105  1
  N  N64  1  0.35387547  0.11151136  0.46078664  1
  N  N65  1  0.14296032  0.88690923  0.95981557  1
  N  N66  1  0.64670439  0.89023369  0.53953315  1
  N  N67  1  0.85811556  0.11315399  0.04079283  1
  N  N68  1  0.01436273  0.91142545  0.57166395  1
  N  N69  1  0.46558940  0.08396255  0.07328463  1
  N  N70  1  0.97515883  0.07896190  0.42743551  1
  N  N71  1  0.53489654  0.91508792  0.92575744  1
  N  N72  1  0.08314093  0.83186272  0.61287618  1
  N  N73  1  0.40546021  0.16792258  0.11479926  1
  N  N74  1  0.91341157  0.16384020  0.38780414  1
  N  N75  1  0.59484407  0.83072552  0.88473296  1
  N  N76  1  0.15436026  0.75662886  0.64710660  1
  N  N77  1  0.34421768  0.24960028  0.14979294  1
  N  N78  1  0.84848054  0.24357200  0.35431800  1
  N  N79  1  0.65670797  0.74926843  0.85003588  1
  N  N80  1  0.96833702  0.19680274  0.64707754  1
  N  N81  1  0.54275363  0.80623129  0.15684212  1
  N  N82  1  0.03538116  0.80845406  0.35546014  1
  N  N83  1  0.45489780  0.19463251  0.84118448  1
  N  N84  1  0.88083222  0.15647643  0.72300029  1
  N  N85  1  0.62909030  0.84077279  0.23315784  1
  N  N86  1  0.12152063  0.84523702  0.27808726  1
  N  N87  1  0.36869864  0.15882825  0.76486686  1
  N  N88  1  0.78770315  0.12130387  0.79608005  1
  N  N89  1  0.71329852  0.86502437  0.31147910  1
  N  N90  1  0.21121132  0.87569469  0.20343950  1
  N  N91  1  0.27371915  0.12374445  0.69191419  1
