# generated using pymatgen
data_Mn2CrFeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11838904
_cell_length_b   10.13686903
_cell_length_c   12.55674238
_cell_angle_alpha   90.02528755
_cell_angle_beta   90.00667987
_cell_angle_gamma   106.44993334
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrFeH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Fe1 H28 C28 N32'
_cell_volume   991.05970585
_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  0.15167409  0.12722631  0.55329085  1
  Mn  Mn1  1  0.33774916  0.86722287  0.05321378  1
  Fe  Fe2  1  0.83424329  0.87045909  0.44309101  1
  Mn  Mn3  1  0.65975739  0.13228069  0.94913251  1
  H  H4  1  0.11212466  0.44881011  0.58172690  1
  H  H5  1  0.38404838  0.54979720  0.08095971  1
  H  H6  1  0.88568800  0.54965737  0.41823693  1
  H  H7  1  0.61404843  0.44888842  0.92009884  1
  H  H8  1  0.18428725  0.64686791  0.46145398  1
  H  H9  1  0.31131168  0.35014100  0.96034924  1
  H  H10  1  0.81334528  0.35135321  0.53825970  1
  H  H11  1  0.68717028  0.64922688  0.04018017  1
  H  H12  1  0.38533241  0.65127103  0.30513399  1
  H  H13  1  0.11066125  0.34530282  0.80478162  1
  H  H14  1  0.61286888  0.34711176  0.69464234  1
  H  H15  1  0.88981034  0.65491811  0.19549731  1
  H  H16  1  0.50008668  0.44816468  0.27962844  1
  H  H17  1  0.99823634  0.55044459  0.77803277  1
  H  H18  1  0.50065218  0.55219689  0.72120954  1
  H  H19  1  0.00294734  0.45073310  0.22181864  1
  H  H20  1  0.52669245  0.22942817  0.34700671  1
  H  H21  1  0.97179682  0.76816076  0.84570502  1
  H  H22  1  0.47498887  0.77178921  0.65262338  1
  H  H23  1  0.02913740  0.23219054  0.15436062  1
  H  H24  1  0.49706773  0.00237008  0.37618121  1
  H  H25  1  1.00127131  0.99765382  0.87780433  1
  H  H26  1  0.50249625  0.99545487  0.62133255  1
  H  H27  1  -0.00077498  0.00297152  0.12282151  1
  H  H28  1  0.33171288  0.89904120  0.45850839  1
  H  H29  1  0.17029188  0.09755550  0.95968638  1
  H  H30  1  0.66743679  0.09932207  0.53972262  1
  H  H31  1  0.83037616  0.90272767  0.04110454  1
  C  C32  1  0.19253991  0.44686680  0.51230714  1
  C  C33  1  0.30507945  0.55080755  0.01081614  1
  C  C34  1  0.80633235  0.55173192  0.48809208  1
  C  C35  1  0.69379248  0.44852514  0.98996086  1
  C  C36  1  0.23660068  0.56102896  0.44519186  1
  C  C37  1  0.26024683  0.43643320  0.94372553  1
  C  C38  1  0.76204875  0.43755497  0.55520292  1
  C  C39  1  0.73891702  0.56324560  0.05667462  1
  C  C40  1  0.34790160  0.56369220  0.35914433  1
  C  C41  1  0.14928264  0.43395950  0.85764369  1
  C  C42  1  0.65126909  0.43534368  0.64144282  1
  C  C43  1  0.85070485  0.56636814  0.14246941  1
  C  C44  1  0.41307335  0.45282459  0.34467100  1
  C  C45  1  0.08560375  0.54551921  0.84275735  1
  C  C46  1  0.58746302  0.54682035  0.65628672  1
  C  C47  1  0.91508007  0.45510336  0.15721879  1
  C  C48  1  0.36056422  0.33936700  0.41415623  1
  C  C49  1  0.13887009  0.65888794  0.91222686  1
  C  C50  1  0.64047564  0.65999970  0.58655841  1
  C  C51  1  0.86154448  0.34136435  0.08816761  1
  C  C52  1  0.42203691  0.22066389  0.40418966  1
  C  C53  1  0.07614155  0.77707854  0.90310573  1
  C  C54  1  0.57894105  0.77858459  0.59552744  1
  C  C55  1  0.92441151  0.22331041  0.09722541  1
  C  C56  1  0.43367988  -0.00358923  0.45420407  1
  C  C57  1  0.06557329  1.00186462  0.95538921  1
  C  C58  1  0.56604292  1.00170166  0.54334083  1
  C  C59  1  0.93484203  -0.00142985  0.04523347  1
  N  N60  1  0.24667934  0.33408864  0.49620407  1
  N  N61  1  0.25318231  0.66430950  0.99370894  1
  N  N62  1  0.75384128  0.66486943  0.50480367  1
  N  N63  1  0.74613038  0.33517714  0.00712694  1
  N  N64  1  0.35347874  0.10972800  0.45969648  1
  N  N65  1  0.14237210  0.88700212  0.95969671  1
  N  N66  1  0.64635924  0.88856853  0.53859626  1
  N  N67  1  0.85765521  0.11331391  0.04074416  1
  N  N68  1  0.02511654  0.92125074  0.57234246  1
  N  N69  1  0.46537446  0.08467327  0.07495145  1
  N  N70  1  0.98529471  0.08839251  0.42846662  1
  N  N71  1  0.53439735  0.91556526  0.92741101  1
  N  N72  1  0.08648233  0.83609432  0.61186971  1
  N  N73  1  0.40498269  0.16888459  0.11578502  1
  N  N74  1  0.91668263  0.16787754  0.38698549  1
  N  N75  1  0.59428700  0.83159218  0.88573897  1
  N  N76  1  0.15100457  0.75603437  0.64522691  1
  N  N77  1  0.34318997  0.25049337  0.15029216  1
  N  N78  1  0.84556820  0.24294630  0.35234650  1
  N  N79  1  0.65564388  0.75009255  0.85052657  1
  N  N80  1  0.96475629  0.19120785  0.64482101  1
  N  N81  1  0.54467645  0.80501351  0.15879458  1
  N  N82  1  0.03178418  0.80293339  0.35321449  1
  N  N83  1  0.45595202  0.19313107  0.84324069  1
  N  N84  1  0.87861863  0.15464193  0.72219608  1
  N  N85  1  0.63172219  0.84139274  0.23472435  1
  N  N86  1  0.11921155  0.84302109  0.27721003  1
  N  N87  1  0.37085039  0.15902068  0.76640326  1
  N  N88  1  0.78924140  0.12442167  0.79702367  1
  N  N89  1  0.72722312  0.87567096  0.30749276  1
  N  N90  1  0.21256475  0.87868519  0.20430104  1
  N  N91  1  0.28808678  0.13555365  0.68754502  1
