# generated using pymatgen
data_Mn2VNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11811208
_cell_length_b   10.13622722
_cell_length_c   12.55797720
_cell_angle_alpha   90.04333694
_cell_angle_beta   89.98723125
_cell_angle_gamma   106.45956418
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VNiH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Ni1 H28 C28 N32'
_cell_volume   991.01124492
_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
  V  V0  1  0.15665808  0.12661540  0.55441549  1
  Mn  Mn1  1  0.34190459  0.86723541  0.05101738  1
  Mn  Mn2  1  0.83853713  0.86615661  0.44487131  1
  Ni  Ni3  1  0.65121517  0.12428798  0.96311591  1
  H  H4  1  0.11095845  0.44975617  0.58172388  1
  H  H5  1  0.38513984  0.55118217  0.08093373  1
  H  H6  1  0.88397974  0.55010742  0.41882644  1
  H  H7  1  0.61211598  0.44566346  0.91915439  1
  H  H8  1  0.18467653  0.64832147  0.46130311  1
  H  H9  1  0.31152232  0.35031526  0.96084117  1
  H  H10  1  0.81183138  0.34990888  0.53893560  1
  H  H11  1  0.68556458  0.64578346  0.03751277  1
  H  H12  1  0.38613262  0.65233191  0.30560377  1
  H  H13  1  0.10904778  0.34476665  0.80604260  1
  H  H14  1  0.61342183  0.34577992  0.69608234  1
  H  H15  1  0.88792580  0.65277952  0.19343267  1
  H  H16  1  0.49844531  0.44728001  0.27946906  1
  H  H17  1  0.99833099  0.55031873  0.77845785  1
  H  H18  1  0.50001802  0.55061858  0.72261341  1
  H  H19  1  0.00115850  0.44844071  0.22053592  1
  H  H20  1  0.52466273  0.22920014  0.34691385  1
  H  H21  1  0.97063437  0.76781448  0.84723073  1
  H  H22  1  0.47348072  0.76785316  0.65514249  1
  H  H23  1  0.03086486  0.23235775  0.15242606  1
  H  H24  1  0.49594431  0.00063454  0.37794921  1
  H  H25  1  1.00341659  0.99956391  0.87761888  1
  H  H26  1  0.50305753  0.99830497  0.62338793  1
  H  H27  1  -0.00366306  0.00047388  0.12269546  1
  H  H28  1  0.32978447  0.89977988  0.46098608  1
  H  H29  1  0.16986490  0.09845787  0.96119187  1
  H  H30  1  0.66946119  0.09734624  0.54001339  1
  H  H31  1  0.82923451  0.90049693  0.03868622  1
  C  C32  1  0.19049779  0.44778688  0.51185223  1
  C  C33  1  0.30672740  0.55168294  0.01048724  1
  C  C34  1  0.80576058  0.55074957  0.48936380  1
  C  C35  1  0.69167187  0.44397685  0.98889462  1
  C  C36  1  0.23598739  0.56200096  0.44491892  1
  C  C37  1  0.26088966  0.43683645  0.94399455  1
  C  C38  1  0.76141127  0.43636061  0.55634786  1
  C  C39  1  0.73728148  0.55988050  0.05467641  1
  C  C40  1  0.34732303  0.56414001  0.35885810  1
  C  C41  1  0.14923886  0.43399730  0.85821754  1
  C  C42  1  0.65111919  0.43405087  0.64279166  1
  C  C43  1  0.84906227  0.56398931  0.14060147  1
  C  C44  1  0.41096958  0.45258451  0.34405873  1
  C  C45  1  0.08575106  0.54564339  0.84320392  1
  C  C46  1  0.58737763  0.54560450  0.65788640  1
  C  C47  1  0.91384564  0.45312207  0.15573284  1
  C  C48  1  0.35722601  0.33890538  0.41326155  1
  C  C49  1  0.13994968  0.65957024  0.91203034  1
  C  C50  1  0.64053054  0.65897597  0.58852006  1
  C  C51  1  0.86045751  0.33893337  0.08689552  1
  C  C52  1  0.42026683  0.22117764  0.40410983  1
  C  C53  1  0.07666591  0.77754332  0.90353419  1
  C  C54  1  0.57772939  0.77716577  0.59758103  1
  C  C55  1  0.92458565  0.22105581  0.09652629  1
  C  C56  1  0.43335651  -0.00377062  0.45614038  1
  C  C57  1  0.06598800  1.00237771  0.95562310  1
  C  C58  1  0.56558543  1.00123502  0.54530192  1
  C  C59  1  0.93308816  -0.00368480  0.04473474  1
  N  N60  1  0.24216096  0.33393124  0.49456577  1
  N  N61  1  0.25603200  0.66563640  0.99240123  1
  N  N62  1  0.75508631  0.66453351  0.50737000  1
  N  N63  1  0.74393090  0.33102548  0.00682983  1
  N  N64  1  0.35505403  0.11042153  0.46108580  1
  N  N65  1  0.14388519  0.88775395  0.95975733  1
  N  N66  1  0.64329867  0.88669018  0.54048176  1
  N  N67  1  0.85545197  0.11052749  0.04220857  1
  N  N68  1  0.04022312  0.92080709  0.57670918  1
  N  N69  1  0.46778139  0.08222203  0.07964807  1
  N  N70  1  0.97954468  0.08879569  0.42802591  1
  N  N71  1  0.53691108  0.92603760  0.92297778  1
  N  N72  1  0.09960125  0.83584655  0.61805334  1
  N  N73  1  0.40788466  0.16946350  0.11592568  1
  N  N74  1  0.91709840  0.17283076  0.38809522  1
  N  N75  1  0.60109466  0.84251810  0.88469526  1
  N  N76  1  0.15725228  0.75208262  0.65200159  1
  N  N77  1  0.34545435  0.25233023  0.14722235  1
  N  N78  1  0.84897514  0.24917740  0.35246489  1
  N  N79  1  0.65849619  0.75679734  0.85289022  1
  N  N80  1  0.98401146  0.19723905  0.64562663  1
  N  N81  1  0.52995463  0.80318616  0.14856030  1
  N  N82  1  0.03214273  0.80332050  0.35142364  1
  N  N83  1  0.44640757  0.19735228  0.84573703  1
  N  N84  1  0.88848967  0.15804459  0.71948276  1
  N  N85  1  0.61998005  0.84246484  0.22351182  1
  N  N86  1  0.12052649  0.84215499  0.27565253  1
  N  N87  1  0.36880063  0.16207795  0.76696694  1
  N  N88  1  0.79172647  0.12322734  0.78962380  1
  N  N89  1  0.71587103  0.88433316  0.29449380  1
  N  N90  1  0.21363130  0.88164607  0.20314465  1
  N  N91  1  0.28757570  0.13371564  0.68710291  1
