# generated using pymatgen
data_Mn2VFeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11684776
_cell_length_b   10.13778014
_cell_length_c   12.55491128
_cell_angle_alpha   90.04212775
_cell_angle_beta   89.96700877
_cell_angle_gamma   106.45399016
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VFeH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Fe1 H28 C28 N32'
_cell_volume   990.79517604
_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  0.16268450  0.13375748  0.55530666  1
  Fe  Fe1  1  0.33528111  0.87559859  0.05680142  1
  V  V2  1  0.84295323  0.87300485  0.44277589  1
  Mn  Mn3  1  0.65903911  0.13384113  0.94837958  1
  H  H4  1  0.11396039  0.44883165  0.58023179  1
  H  H5  1  0.38574006  0.54857143  0.08113042  1
  H  H6  1  0.88754948  0.54910655  0.41740907  1
  H  H7  1  0.61346120  0.44830642  0.91999126  1
  H  H8  1  0.18641825  0.64948560  0.46013777  1
  H  H9  1  0.31254868  0.35069454  0.96124046  1
  H  H10  1  0.81350694  0.35093729  0.53810673  1
  H  H11  1  0.68649031  0.64921720  0.04012562  1
  H  H12  1  0.38708780  0.65475028  0.30434612  1
  H  H13  1  0.11131198  0.34706673  0.80445262  1
  H  H14  1  0.61358323  0.34815474  0.69462177  1
  H  H15  1  0.88834690  0.65471664  0.19531076  1
  H  H16  1  0.50145895  0.45044823  0.27779081  1
  H  H17  1  0.99996293  0.55261036  0.77905884  1
  H  H18  1  0.50146694  0.55312840  0.72034091  1
  H  H19  1  0.00272785  0.45065328  0.22141893  1
  H  H20  1  0.52783926  0.23311482  0.34498515  1
  H  H21  1  0.97393704  0.77114094  0.84834095  1
  H  H22  1  0.47682070  0.77270689  0.65182645  1
  H  H23  1  0.02949339  0.23306126  0.15360720  1
  H  H24  1  0.49837497  0.00287336  0.37577199  1
  H  H25  1  1.00385019  0.99657120  0.87810902  1
  H  H26  1  0.50560445  0.99825038  0.62102029  1
  H  H27  1  -0.00314974  0.00187182  0.12336771  1
  H  H28  1  0.33210261  0.90286938  0.45898326  1
  H  H29  1  0.16935760  0.09951283  0.96018213  1
  H  H30  1  0.67144269  0.10046530  0.53848764  1
  H  H31  1  0.83040004  0.90214485  0.04007431  1
  C  C32  1  0.19308413  0.44873324  0.50999147  1
  C  C33  1  0.30603344  0.55103487  0.01146227  1
  C  C34  1  0.80853409  0.55150458  0.48753360  1
  C  C35  1  0.69272936  0.44829332  0.99010941  1
  C  C36  1  0.23776046  0.56336789  0.44327204  1
  C  C37  1  0.26117082  0.43675163  0.94424875  1
  C  C38  1  0.76282107  0.43752172  0.55470949  1
  C  C39  1  0.73795387  0.56308901  0.05670351  1
  C  C40  1  0.34934111  0.56631914  0.35738481  1
  C  C41  1  0.15030642  0.43489315  0.85817154  1
  C  C42  1  0.65219602  0.43608355  0.64107484  1
  C  C43  1  0.84997441  0.56618864  0.14235390  1
  C  C44  1  0.41363597  0.45504319  0.34240485  1
  C  C45  1  0.08690018  0.54663218  0.84376689  1
  C  C46  1  0.58917013  0.54800292  0.65581158  1
  C  C47  1  0.91468279  0.45509465  0.15697057  1
  C  C48  1  0.36001718  0.34136090  0.41145472  1
  C  C49  1  0.14043788  0.65968314  0.91375927  1
  C  C50  1  0.64330393  0.66140960  0.58628949  1
  C  C51  1  0.86079823  0.34120447  0.08809792  1
  C  C52  1  0.42326299  0.22341580  0.40244403  1
  C  C53  1  0.07874315  0.77838842  0.90492399  1
  C  C54  1  0.58122683  0.77947066  0.59482107  1
  C  C55  1  0.92409337  0.22321965  0.09681686  1
  C  C56  1  0.43575330  -0.00083584  0.45395735  1
  C  C57  1  0.06681805  1.00255303  0.95629435  1
  C  C58  1  0.56835598  1.00372665  0.54275946  1
  C  C59  1  0.93438988  -0.00177891  0.04521589  1
  N  N60  1  0.24453598  0.33527412  0.49220074  1
  N  N61  1  0.25340747  0.66404618  0.99564308  1
  N  N62  1  0.75818406  0.66589664  0.50462451  1
  N  N63  1  0.74458040  0.33483820  0.00782541  1
  N  N64  1  0.35778011  0.11358535  0.45928998  1
  N  N65  1  0.14565161  0.88867375  0.96152118  1
  N  N66  1  0.64697379  0.88963475  0.53692213  1
  N  N67  1  0.85721870  0.11319581  0.04042294  1
  N  N68  1  0.02003254  0.90888853  0.56801542  1
  N  N69  1  0.46849597  0.07984662  0.07820927  1
  N  N70  1  0.95835596  0.07778108  0.42316304  1
  N  N71  1  0.51982729  0.91455963  0.93387343  1
  N  N72  1  0.08205971  0.82597482  0.61005923  1
  N  N73  1  0.40341824  0.16296050  0.11726282  1
  N  N74  1  0.89944559  0.16310808  0.38178354  1
  N  N75  1  0.57994113  0.82967679  0.89304144  1
  N  N76  1  0.15036901  0.75083625  0.64757437  1
  N  N77  1  0.34119525  0.24547767  0.14931483  1
  N  N78  1  0.84301343  0.24743890  0.34766111  1
  N  N79  1  0.64710762  0.75377738  0.85482588  1
  N  N80  1  0.96827289  0.19621596  0.64901027  1
  N  N81  1  0.54758979  0.80541508  0.15378468  1
  N  N82  1  0.03427167  0.80976131  0.34524162  1
  N  N83  1  0.46910930  0.19641645  0.85147947  1
  N  N84  1  0.87929864  0.15725824  0.72455680  1
  N  N85  1  0.62866060  0.84023401  0.23183116  1
  N  N86  1  0.12368578  0.84370849  0.26904676  1
  N  N87  1  0.37969504  0.15701284  0.77627669  1
  N  N88  1  0.78496861  0.11568084  0.79630749  1
  N  N89  1  0.71288873  0.86569420  0.31028738  1
  N  N90  1  0.22052254  0.87472600  0.19725054  1
  N  N91  1  0.28430151  0.11458608  0.70516812  1
