# generated using pymatgen
data_Mn2VNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11708504
_cell_length_b   10.13744892
_cell_length_c   12.55456037
_cell_angle_alpha   90.04651347
_cell_angle_beta   89.97303946
_cell_angle_gamma   106.46063455
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VNiH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Ni1 H28 C28 N32'
_cell_volume   990.73011871
_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  0.15522233  0.12602002  0.55306436  1
  Ni  Ni1  1  0.33759189  0.86708176  0.05894480  1
  Mn  Mn2  1  0.83855940  0.86510787  0.44179292  1
  Mn  Mn3  1  0.65981379  0.12944526  0.95167076  1
  H  H4  1  0.11106252  0.44894868  0.58188630  1
  H  H5  1  0.38583821  0.55188101  0.08248089  1
  H  H6  1  0.88482749  0.54991667  0.41814943  1
  H  H7  1  0.61261251  0.44718037  0.91952213  1
  H  H8  1  0.18422062  0.64778847  0.46154011  1
  H  H9  1  0.31300444  0.35259453  0.96287926  1
  H  H10  1  0.81247220  0.35014788  0.53821794  1
  H  H11  1  0.68647061  0.64825570  0.03878135  1
  H  H12  1  0.38458870  0.65194824  0.30522042  1
  H  H13  1  0.11289356  0.34748765  0.80654363  1
  H  H14  1  0.61256040  0.34612345  0.69496514  1
  H  H15  1  0.89180453  0.65505704  0.19330362  1
  H  H16  1  0.49791731  0.44734613  0.27901492  1
  H  H17  1  1.00152861  0.55313155  0.77904258  1
  H  H18  1  0.50242533  0.55235523  0.72251863  1
  H  H19  1  0.00182226  0.44973903  0.22092038  1
  H  H20  1  0.52491089  0.22870310  0.34703854  1
  H  H21  1  0.97101651  0.76863940  0.84907480  1
  H  H22  1  0.47429214  0.76833088  0.65389662  1
  H  H23  1  0.03047227  0.23233783  0.15236596  1
  H  H24  1  0.49303109  -0.00122911  0.37656850  1
  H  H25  1  1.00885102  1.00161724  0.87803832  1
  H  H26  1  0.50466079  0.99947693  0.62214090  1
  H  H27  1  -0.00518822  -0.00045430  0.12339529  1
  H  H28  1  0.32807063  0.89895762  0.46090189  1
  H  H29  1  0.17364892  0.09899014  0.96461442  1
  H  H30  1  0.66927056  0.09747009  0.53712674  1
  H  H31  1  0.83028332  0.90113816  0.03804098  1
  C  C32  1  0.19015653  0.44717817  0.51173509  1
  C  C33  1  0.30545164  0.55343229  0.01309405  1
  C  C34  1  0.80677290  0.55087459  0.48875516  1
  C  C35  1  0.69162210  0.44681459  0.98973512  1
  C  C36  1  0.23561226  0.56156418  0.44495877  1
  C  C37  1  0.26158372  0.43867666  0.94599108  1
  C  C38  1  0.76202329  0.43655279  0.55582318  1
  C  C39  1  0.73750284  0.56200635  0.05593666  1
  C  C40  1  0.34671972  0.56386251  0.35871256  1
  C  C41  1  0.15085493  0.43584966  0.85975610  1
  C  C42  1  0.65154119  0.43465550  0.64210255  1
  C  C43  1  0.85018838  0.56556685  0.14134995  1
  C  C44  1  0.41056342  0.45241000  0.34376519  1
  C  C45  1  0.08686867  0.54719668  0.84470463  1
  C  C46  1  0.58870983  0.54665528  0.65729132  1
  C  C47  1  0.91368676  0.45393848  0.15645001  1
  C  C48  1  0.35671362  0.33845711  0.41277254  1
  C  C49  1  0.13893734  0.66032393  0.91475570  1
  C  C50  1  0.64204358  0.65982051  0.58777094  1
  C  C51  1  0.85942459  0.33965605  0.08792831  1
  C  C52  1  0.41958391  0.22063472  0.40359315  1
  C  C53  1  0.07675281  0.77936834  0.90547325  1
  C  C54  1  0.57895751  0.77794871  0.59648608  1
  C  C55  1  0.92358960  0.22224738  0.09668885  1
  C  C56  1  0.43171045  -0.00478629  0.45512513  1
  C  C57  1  0.06913896  1.00370271  0.95681665  1
  C  C58  1  0.56565347  1.00136510  0.54359789  1
  C  C59  1  0.93408937  -0.00298036  0.04486591  1
  N  N60  1  0.24113357  0.33311953  0.49400102  1
  N  N61  1  0.25066256  0.66511584  0.99687126  1
  N  N62  1  0.75654410  0.66488649  0.50659725  1
  N  N63  1  0.74292623  0.33307456  0.00751092  1
  N  N64  1  0.35319097  0.10939685  0.46000483  1
  N  N65  1  0.14536369  0.88859074  0.96124086  1
  N  N66  1  0.64399198  0.88706106  0.53886135  1
  N  N67  1  0.85665387  0.11127143  0.04133078  1
  N  N68  1  0.04166047  0.92099121  0.57614973  1
  N  N69  1  0.46987067  0.08216395  0.07878554  1
  N  N70  1  0.98093079  0.08950439  0.42704170  1
  N  N71  1  0.53319739  0.91797038  0.92159410  1
  N  N72  1  0.10180865  0.83686011  0.61801260  1
  N  N73  1  0.40175738  0.16307928  0.11686878  1
  N  N74  1  0.91726327  0.17317371  0.38777587  1
  N  N75  1  0.59269604  0.83055746  0.88605954  1
  N  N76  1  0.15875977  0.75335023  0.65311442  1
  N  N77  1  0.33696913  0.24409313  0.14938477  1
  N  N78  1  0.84800677  0.24902140  0.35256832  1
  N  N79  1  0.65478097  0.74743571  0.85418460  1
  N  N80  1  0.97588581  0.19401350  0.64707425  1
  N  N81  1  0.53048293  0.80183643  0.14905337  1
  N  N82  1  0.03671657  0.80730401  0.34703811  1
  N  N83  1  0.44840671  0.19048770  0.84594983  1
  N  N84  1  0.88416537  0.15792403  0.72262646  1
  N  N85  1  0.61905503  0.84355658  0.22391957  1
  N  N86  1  0.12142382  0.83934658  0.26875648  1
  N  N87  1  0.36971115  0.16182963  0.76653371  1
  N  N88  1  0.79165249  0.12804909  0.79603774  1
  N  N89  1  0.71497517  0.88819764  0.29472267  1
  N  N90  1  0.21219541  0.87089112  0.19466702  1
  N  N91  1  0.29015824  0.14133539  0.68597700  1
