# generated using pymatgen
data_Mn2CrFeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11732768
_cell_length_b   10.13709374
_cell_length_c   12.55522034
_cell_angle_alpha   90.03507148
_cell_angle_beta   89.99947103
_cell_angle_gamma   106.44743930
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrFeH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Fe1 H28 C28 N32'
_cell_volume   990.84465195
_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  0.15851400  0.13316486  0.55184736  1
  Cr  Cr1  1  0.34865234  0.87294020  0.05605387  1
  Fe  Fe2  1  0.83623274  0.87537968  0.44252229  1
  Mn  Mn3  1  0.66026381  0.13332129  0.94625300  1
  H  H4  1  0.11342761  0.44818512  0.58031901  1
  H  H5  1  0.38601818  0.54907778  0.08237080  1
  H  H6  1  0.88568675  0.54871844  0.41856007  1
  H  H7  1  0.61397232  0.44898883  0.92027382  1
  H  H8  1  0.18602988  0.64884560  0.46011426  1
  H  H9  1  0.31315063  0.35180976  0.96127226  1
  H  H10  1  0.81287055  0.35091690  0.53838903  1
  H  H11  1  0.68681788  0.64970909  0.04058303  1
  H  H12  1  0.38779233  0.65433805  0.30495943  1
  H  H13  1  0.11224161  0.34843740  0.80506461  1
  H  H14  1  0.61216916  0.34746841  0.69545679  1
  H  H15  1  0.88938669  0.65532431  0.19546056  1
  H  H16  1  0.50228670  0.45034354  0.27863165  1
  H  H17  1  1.00079378  0.55313956  0.77942954  1
  H  H18  1  0.50020019  0.55275278  0.72092040  1
  H  H19  1  0.00245144  0.45071795  0.22203172  1
  H  H20  1  0.52946199  0.23278165  0.34645432  1
  H  H21  1  0.97557013  0.77223373  0.84735113  1
  H  H22  1  0.47401030  0.77121267  0.65175733  1
  H  H23  1  0.02807907  0.23282987  0.15488314  1
  H  H24  1  0.49730225  0.00219857  0.37650043  1
  H  H25  1  1.00482275  0.99854584  0.87815781  1
  H  H26  1  0.50322000  0.99630881  0.62176119  1
  H  H27  1  -0.00128925  0.00247351  0.12331790  1
  H  H28  1  0.33059902  0.90195989  0.45923381  1
  H  H29  1  0.17068881  0.10072661  0.96061948  1
  H  H30  1  0.66904718  0.09938570  0.54004396  1
  H  H31  1  0.83231625  0.90269993  0.04021178  1
  C  C32  1  0.19268886  0.44807039  0.51018725  1
  C  C33  1  0.30593025  0.55174429  0.01290637  1
  C  C34  1  0.80590330  0.55109677  0.48822348  1
  C  C35  1  0.69347887  0.44890668  0.99030699  1
  C  C36  1  0.23766266  0.56276604  0.44355807  1
  C  C37  1  0.26146281  0.43796943  0.94527178  1
  C  C38  1  0.76138762  0.43693149  0.55546837  1
  C  C39  1  0.73840550  0.56362047  0.05707223  1
  C  C40  1  0.34947303  0.56575213  0.35781068  1
  C  C41  1  0.15066707  0.43605961  0.85904778  1
  C  C42  1  0.65069829  0.43513159  0.64164804  1
  C  C43  1  0.85042304  0.56659723  0.14269190  1
  C  C44  1  0.41417429  0.45467003  0.34308488  1
  C  C45  1  0.08711882  0.54780538  0.84466458  1
  C  C46  1  0.58707779  0.54677987  0.65614417  1
  C  C47  1  0.91453430  0.45520107  0.15748851  1
  C  C48  1  0.36057469  0.34092901  0.41203732  1
  C  C49  1  0.13987631  0.66075897  0.91476533  1
  C  C50  1  0.64035503  0.65973942  0.58612014  1
  C  C51  1  0.86070855  0.34144374  0.08840972  1
  C  C52  1  0.42401137  0.22301919  0.40321249  1
  C  C53  1  0.07945859  0.77991958  0.90497003  1
  C  C54  1  0.57872217  0.77848528  0.59505956  1
  C  C55  1  0.92367792  0.22329008  0.09735476  1
  C  C56  1  0.43440406  -0.00181861  0.45456158  1
  C  C57  1  0.06818467  1.00377507  0.95617926  1
  C  C58  1  0.56649154  1.00241125  0.54365855  1
  C  C59  1  0.93582343  -0.00091188  0.04530096  1
  N  N60  1  0.24462609  0.33465068  0.49250529  1
  N  N61  1  0.25265481  0.66501985  0.99744850  1
  N  N62  1  0.75291636  0.66391605  0.50404756  1
  N  N63  1  0.74530640  0.33553432  0.00769915  1
  N  N64  1  0.35709896  0.11306666  0.45957759  1
  N  N65  1  0.14786504  0.89017840  0.96147869  1
  N  N66  1  0.64532642  0.88858039  0.53834336  1
  N  N67  1  0.85788983  0.11348479  0.04046413  1
  N  N68  1  0.01956895  0.91393931  0.56759564  1
  N  N69  1  0.46435430  0.07813305  0.07852871  1
  N  N70  1  0.97025786  0.08133513  0.42139756  1
  N  N71  1  0.51817516  0.90819980  0.93229689  1
  N  N72  1  0.08034434  0.82901242  0.60761205  1
  N  N73  1  0.40208118  0.16264510  0.11777671  1
  N  N74  1  0.90395411  0.16362018  0.38236007  1
  N  N75  1  0.58197677  0.82660660  0.88990035  1
  N  N76  1  0.14800825  0.75317549  0.64529121  1
  N  N77  1  0.34299764  0.24669941  0.15003068  1
  N  N78  1  0.84072190  0.24553513  0.35043229  1
  N  N79  1  0.65064857  0.75161954  0.85224217  1
  N  N80  1  0.96814616  0.19590833  0.64858447  1
  N  N81  1  0.54315942  0.81066720  0.15390359  1
  N  N82  1  0.04519704  0.80528485  0.34707036  1
  N  N83  1  0.46865066  0.19692833  0.85095133  1
  N  N84  1  0.87937455  0.15739523  0.72420558  1
  N  N85  1  0.62824602  0.84479659  0.23153762  1
  N  N86  1  0.12632749  0.83935373  0.26860098  1
  N  N87  1  0.37955556  0.15786914  0.77547735  1
  N  N88  1  0.78494346  0.11633801  0.79594855  1
  N  N89  1  0.72059728  0.87420434  0.30567950  1
  N  N90  1  0.20791565  0.86239492  0.18926418  1
  N  N91  1  0.28495893  0.11684341  0.70375021  1
