# generated using pymatgen
data_Mn2CrFeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11838446
_cell_length_b   10.13686527
_cell_length_c   12.55677904
_cell_angle_alpha   90.04296540
_cell_angle_beta   89.96994894
_cell_angle_gamma   106.44959573
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrFeH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Fe1 H28 C28 N32'
_cell_volume   991.06319452
_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  0.15987179  0.13214098  0.55085450  1
  Fe  Fe1  1  0.33427192  0.87054959  0.05692567  1
  Mn  Mn2  1  0.83767855  0.86725119  0.44686922  1
  Cr  Cr3  1  0.65181591  0.12729311  0.94687034  1
  H  H4  1  0.11393369  0.44855015  0.58037061  1
  H  H5  1  0.38570728  0.54949358  0.08135348  1
  H  H6  1  0.88407535  0.54999571  0.41866580  1
  H  H7  1  0.61225306  0.44910203  0.91877647  1
  H  H8  1  0.18661860  0.64881478  0.46037465  1
  H  H9  1  0.31296560  0.35107581  0.96132073  1
  H  H10  1  0.81165160  0.35044380  0.53915126  1
  H  H11  1  0.68489686  0.64726595  0.03906236  1
  H  H12  1  0.38830615  0.65420946  0.30451322  1
  H  H13  1  0.11204502  0.34666701  0.80520037  1
  H  H14  1  0.61152369  0.34575451  0.69504156  1
  H  H15  1  0.88667519  0.65189368  0.19502732  1
  H  H16  1  0.50223538  0.45041724  0.27826026  1
  H  H17  1  1.00023641  0.55196520  0.77870578  1
  H  H18  1  0.49863981  0.55069837  0.72190059  1
  H  H19  1  0.00083803  0.44851274  0.22043666  1
  H  H20  1  0.52925794  0.23200175  0.34575325  1
  H  H21  1  0.97539945  0.77181784  0.84703942  1
  H  H22  1  0.47118156  0.76832096  0.65382714  1
  H  H23  1  0.02666533  0.22951647  0.15316424  1
  H  H24  1  0.49944794  0.00294590  0.37703611  1
  H  H25  1  1.00275705  0.99544017  0.87854760  1
  H  H26  1  0.50099015  0.99758508  0.62208395  1
  H  H27  1  -0.00335088  0.00226334  0.12369909  1
  H  H28  1  0.33050611  0.90252116  0.45859141  1
  H  H29  1  0.16757308  0.09925931  0.96031817  1
  H  H30  1  0.67008761  0.09762032  0.54034785  1
  H  H31  1  0.83141322  0.89926261  0.04109391  1
  C  C32  1  0.19355640  0.44820217  0.51042379  1
  C  C33  1  0.30621009  0.55154032  0.01158287  1
  C  C34  1  0.80518247  0.55105327  0.48886214  1
  C  C35  1  0.69284389  0.44718328  0.98809246  1
  C  C36  1  0.23830963  0.56282283  0.44370780  1
  C  C37  1  0.26167282  0.43727250  0.94446855  1
  C  C38  1  0.76059218  0.43674309  0.55591999  1
  C  C39  1  0.73718890  0.56142297  0.05521765  1
  C  C40  1  0.34977935  0.56588501  0.35773297  1
  C  C41  1  0.15074045  0.43501700  0.85834208  1
  C  C42  1  0.64982267  0.43431998  0.64213926  1
  C  C43  1  0.84877257  0.56416911  0.14111321  1
  C  C44  1  0.41442351  0.45474899  0.34291476  1
  C  C45  1  0.08714855  0.54659518  0.84354714  1
  C  C46  1  0.58592400  0.54577956  0.65709675  1
  C  C47  1  0.91372334  0.45318610  0.15548499  1
  C  C48  1  0.36132520  0.34110562  0.41197326  1
  C  C49  1  0.14043435  0.65986192  0.91327552  1
  C  C50  1  0.63880879  0.65905040  0.58759553  1
  C  C51  1  0.86093440  0.33966044  0.08598579  1
  C  C52  1  0.42440228  0.22315847  0.40280323  1
  C  C53  1  0.07905881  0.77851922  0.90432295  1
  C  C54  1  0.57585384  0.77711245  0.59666468  1
  C  C55  1  0.92223438  0.22086003  0.09586158  1
  C  C56  1  0.43487714  -0.00153825  0.45459611  1
  C  C57  1  0.06612322  1.00167925  0.95658717  1
  C  C58  1  0.56546716  1.00185115  0.54451714  1
  C  C59  1  0.93355866  -0.00350299  0.04560734  1
  N  N60  1  0.24603760  0.33493023  0.49311346  1
  N  N61  1  0.25376478  0.66468582  0.99500491  1
  N  N62  1  0.75322930  0.66453286  0.50609759  1
  N  N63  1  0.74694603  0.33438003  0.00403755  1
  N  N64  1  0.35758481  0.11312277  0.45914012  1
  N  N65  1  0.14639776  0.88850504  0.96135365  1
  N  N66  1  0.64237474  0.88704791  0.54018422  1
  N  N67  1  0.85363228  0.10997856  0.04022078  1
  N  N68  1  0.03392745  0.91568303  0.57296056  1
  N  N69  1  0.48524868  0.08851787  0.07145315  1
  N  N70  1  0.96544005  0.08443574  0.42506621  1
  N  N71  1  0.52564645  0.92108042  0.92831488  1
  N  N72  1  0.09400539  0.83178982  0.61451379  1
  N  N73  1  0.41675520  0.16811938  0.11297381  1
  N  N74  1  0.90504131  0.16856875  0.38419543  1
  N  N75  1  0.58664308  0.83579754  0.88849828  1
  N  N76  1  0.15561008  0.75041382  0.64957571  1
  N  N77  1  0.34575117  0.24332670  0.14757109  1
  N  N78  1  0.84325874  0.25010515  0.34964734  1
  N  N79  1  0.65102154  0.75576556  0.85484605  1
  N  N80  1  0.95516671  0.19309954  0.65669363  1
  N  N81  1  0.53055360  0.80228402  0.14726224  1
  N  N82  1  0.04584407  0.80548486  0.34180638  1
  N  N83  1  0.46516143  0.19128367  0.85524368  1
  N  N84  1  0.87035196  0.15874548  0.73359873  1
  N  N85  1  0.61896019  0.84256538  0.22290158  1
  N  N86  1  0.13172173  0.84163207  0.26537391  1
  N  N87  1  0.37919165  0.15516545  0.77774907  1
  N  N88  1  0.78777827  0.13495207  0.81249989  1
  N  N89  1  0.71359400  0.87811836  0.29520436  1
  N  N90  1  0.22655950  0.87625324  0.19234293  1
  N  N91  1  0.28966995  0.12523626  0.70294811  1
