# generated using pymatgen
data_Mn3VH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11943134
_cell_length_b   10.13734824
_cell_length_c   12.56140233
_cell_angle_alpha   90.03351325
_cell_angle_beta   89.98830199
_cell_angle_gamma   106.44709904
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3VH28(C7N8)4
_chemical_formula_sum   'Mn3 V1 H28 C28 N32'
_cell_volume   991.61610159
_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  0.16037946  0.13426332  0.55231195  1
  V  V1  1  0.34296725  0.87253347  0.05409703  1
  Mn  Mn2  1  0.83837624  0.86766310  0.44819058  1
  Mn  Mn3  1  0.66445392  0.13554549  0.94424513  1
  H  H4  1  0.11373485  0.44873067  0.57977079  1
  H  H5  1  0.38655233  0.54932302  0.08115030  1
  H  H6  1  0.88416031  0.55033031  0.41934197  1
  H  H7  1  0.61418705  0.44935390  0.92110766  1
  H  H8  1  0.18709641  0.64932933  0.45994879  1
  H  H9  1  0.31207157  0.35032839  0.96104613  1
  H  H10  1  0.81150850  0.35026081  0.53937038  1
  H  H11  1  0.68720705  0.64996729  0.04073076  1
  H  H12  1  0.38748329  0.65423679  0.30401028  1
  H  H13  1  0.11197854  0.34700633  0.80441008  1
  H  H14  1  0.61193085  0.34617846  0.69627882  1
  H  H15  1  0.88918675  0.65549953  0.19632307  1
  H  H16  1  0.50307715  0.45066256  0.27831314  1
  H  H17  1  0.99872985  0.55111741  0.77924916  1
  H  H18  1  0.49791283  0.55003673  0.72192950  1
  H  H19  1  0.00373314  0.45140631  0.22214971  1
  H  H20  1  0.52850772  0.23213358  0.34517319  1
  H  H21  1  0.97615801  0.77220027  0.84645956  1
  H  H22  1  0.47124218  0.76863433  0.65478679  1
  H  H23  1  0.02730638  0.23298637  0.15638592  1
  H  H24  1  0.50081629  0.00442645  0.37733863  1
  H  H25  1  1.00176952  0.99572683  0.87844916  1
  H  H26  1  0.49862817  0.99574701  0.62221310  1
  H  H27  1  0.00162183  0.00492983  0.12343906  1
  H  H28  1  0.33100719  0.90330028  0.45756349  1
  H  H29  1  0.17004680  0.09914830  0.95856468  1
  H  H30  1  0.66838159  0.09687395  0.54192950  1
  H  H31  1  0.83323467  0.90383617  0.04256861  1
  C  C32  1  0.19416721  0.44886980  0.51020144  1
  C  C33  1  0.30713231  0.55114618  0.01127469  1
  C  C34  1  0.80449305  0.55076102  0.48921378  1
  C  C35  1  0.69439238  0.44955717  0.99079329  1
  C  C36  1  0.23900130  0.56343199  0.44344145  1
  C  C37  1  0.26121310  0.43677901  0.94445506  1
  C  C38  1  0.76002337  0.43632964  0.55613335  1
  C  C39  1  0.73928777  0.56425760  0.05752475  1
  C  C40  1  0.35056937  0.56637786  0.35757390  1
  C  C41  1  0.15012941  0.43466871  0.85832632  1
  C  C42  1  0.64937150  0.43381070  0.64239626  1
  C  C43  1  0.85129159  0.56726067  0.14306903  1
  C  C44  1  0.41570534  0.45549240  0.34306470  1
  C  C45  1  0.08648523  0.54626093  0.84373607  1
  C  C46  1  0.58483275  0.54501653  0.65697862  1
  C  C47  1  0.91587411  0.45610400  0.15766912  1
  C  C48  1  0.36247892  0.34200957  0.41224286  1
  C  C49  1  0.14085594  0.66011031  0.91282695  1
  C  C50  1  0.63742065  0.65827826  0.58755235  1
  C  C51  1  0.86197724  0.34236281  0.08869928  1
  C  C52  1  0.42482331  0.22374951  0.40293836  1
  C  C53  1  0.07932965  0.77830380  0.90410593  1
  C  C54  1  0.57483974  0.77643942  0.59702253  1
  C  C55  1  0.92438213  0.22408184  0.09796870  1
  C  C56  1  0.43523270  -0.00064651  0.45454743  1
  C  C57  1  0.06660442  1.00251470  0.95602431  1
  C  C58  1  0.56400740  1.00099664  0.54496479  1
  C  C59  1  0.93692101  0.00020126  0.04597137  1
  N  N60  1  0.24741887  0.33596923  0.49325633  1
  N  N61  1  0.25625292  0.66522728  0.99406589  1
  N  N62  1  0.75199216  0.66399106  0.50618633  1
  N  N63  1  0.74644875  0.33631315  0.00809414  1
  N  N64  1  0.35853663  0.11443913  0.46014545  1
  N  N65  1  0.14457321  0.88812376  0.96259092  1
  N  N66  1  0.64070525  0.88602248  0.53999015  1
  N  N67  1  0.85947219  0.11481250  0.04038294  1
  N  N68  1  0.03336472  0.91617820  0.57402368  1
  N  N69  1  0.45936356  0.07787689  0.07486096  1
  N  N70  1  0.96754520  0.08455314  0.42542214  1
  N  N71  1  0.51841939  0.90872051  0.92965441  1
  N  N72  1  0.09358019  0.83203650  0.61498060  1
  N  N73  1  0.40156587  0.16378953  0.11636648  1
  N  N74  1  0.90732079  0.16887365  0.38464627  1
  N  N75  1  0.58134325  0.82486510  0.88971629  1
  N  N76  1  0.15370842  0.74925540  0.64910977  1
  N  N77  1  0.34761621  0.24949835  0.15066326  1
  N  N78  1  0.84550370  0.25057797  0.35045122  1
  N  N79  1  0.65029473  0.74977080  0.85283196  1
  N  N80  1  0.97132188  0.19965693  0.64990505  1
  N  N81  1  0.52078684  0.80188124  0.14762337  1
  N  N82  1  0.04348293  0.80492362  0.34502626  1
  N  N83  1  0.46942706  0.19840256  0.85085378  1
  N  N84  1  0.87859302  0.15724135  0.72307575  1
  N  N85  1  0.61700248  0.84154255  0.22048984  1
  N  N86  1  0.13014439  0.84050833  0.26931155  1
  N  N87  1  0.37866549  0.15909800  0.77618131  1
  N  N88  1  0.78024078  0.11264953  0.79251272  1
  N  N89  1  0.71619101  0.87833621  0.29000136  1
  N  N90  1  0.21839954  0.86950124  0.19262835  1
  N  N91  1  0.28243495  0.11713762  0.70540070  1
