# generated using pymatgen
data_Mn2VCrH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11969218
_cell_length_b   10.13945470
_cell_length_c   12.55950859
_cell_angle_alpha   90.02578411
_cell_angle_beta   90.00046721
_cell_angle_gamma   106.45770924
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VCrH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Cr1 H28 C28 N32'
_cell_volume   991.65031162
_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
  Cr  Cr0  1  0.15213755  0.12812907  0.55261027  1
  V  V1  1  0.34405460  0.87329507  0.05320860  1
  Mn  Mn2  1  0.83626311  0.86899819  0.44720195  1
  Mn  Mn3  1  0.66349646  0.13280012  0.94517382  1
  H  H4  1  0.11280093  0.44920170  0.58192103  1
  H  H5  1  0.38715920  0.54967976  0.08208015  1
  H  H6  1  0.88431763  0.55081750  0.41874586  1
  H  H7  1  0.61397686  0.44895798  0.92017952  1
  H  H8  1  0.18503539  0.64714393  0.46128899  1
  H  H9  1  0.31321128  0.35094831  0.96161078  1
  H  H10  1  0.81254238  0.35078824  0.53901512  1
  H  H11  1  0.68647806  0.64940293  0.03999459  1
  H  H12  1  0.38636283  0.65197951  0.30578626  1
  H  H13  1  0.11276634  0.34702183  0.80583082  1
  H  H14  1  0.61203307  0.34597674  0.69503903  1
  H  H15  1  0.88858942  0.65534337  0.19531745  1
  H  H16  1  0.49986046  0.44786503  0.27952340  1
  H  H17  1  1.00046364  0.55204232  0.77959719  1
  H  H18  1  0.49971818  0.55074826  0.72207876  1
  H  H19  1  0.00206068  0.45086471  0.22200212  1
  H  H20  1  0.52825285  0.22958014  0.34811115  1
  H  H21  1  0.97432176  0.77096277  0.84787985  1
  H  H22  1  0.47045683  0.76723524  0.65394750  1
  H  H23  1  0.02890197  0.23329315  0.15482639  1
  H  H24  1  0.49592752  0.00060933  0.37713598  1
  H  H25  1  1.00536836  0.99973378  0.87831506  1
  H  H26  1  0.49995162  0.99778016  0.62244137  1
  H  H27  1  -0.00090660  0.00313124  0.12369067  1
  H  H28  1  0.32934758  0.89901993  0.45952518  1
  H  H29  1  0.17203554  0.10057041  0.96107632  1
  H  H30  1  0.66640118  0.09808864  0.53951086  1
  H  H31  1  0.83304287  0.90283504  0.04052257  1
  C  C32  1  0.19315981  0.44730840  0.51249019  1
  C  C33  1  0.30831052  0.55180766  0.01194219  1
  C  C34  1  0.80578933  0.55152407  0.48914642  1
  C  C35  1  0.69326808  0.44869299  0.99028783  1
  C  C36  1  0.23731415  0.56132443  0.44523820  1
  C  C37  1  0.26245458  0.43746740  0.94507271  1
  C  C38  1  0.76154783  0.43706055  0.55602978  1
  C  C39  1  0.73800920  0.56344331  0.05693309  1
  C  C40  1  0.34879121  0.56399580  0.35928519  1
  C  C41  1  0.15142725  0.43538658  0.85897555  1
  C  C42  1  0.65074380  0.43449168  0.64218691  1
  C  C43  1  0.84986255  0.56663264  0.14259044  1
  C  C44  1  0.41363073  0.45298974  0.34484977  1
  C  C45  1  0.08800699  0.54698329  0.84415765  1
  C  C46  1  0.58681572  0.54590294  0.65719618  1
  C  C47  1  0.91403554  0.45532828  0.15754312  1
  C  C48  1  0.36114651  0.33960364  0.41441967  1
  C  C49  1  0.14209267  0.66080456  0.91330820  1
  C  C50  1  0.63963729  0.65936700  0.58793298  1
  C  C51  1  0.86033361  0.34139784  0.08867627  1
  C  C52  1  0.42255021  0.22092947  0.40451520  1
  C  C53  1  0.07949942  0.77865178  0.90438552  1
  C  C54  1  0.57595229  0.77710914  0.59720880  1
  C  C55  1  0.92365975  0.22348614  0.09783958  1
  C  C56  1  0.43188074  -0.00408298  0.45488416  1
  C  C57  1  0.06827485  1.00420210  0.95638335  1
  C  C58  1  0.56327488  1.00158349  0.54462832  1
  C  C59  1  0.93638184  -0.00077448  0.04564880  1
  N  N60  1  0.24747126  0.33457855  0.49655211  1
  N  N61  1  0.25776318  0.66605763  0.99443592  1
  N  N62  1  0.75428621  0.66497369  0.50673551  1
  N  N63  1  0.74502431  0.33539995  0.00781780  1
  N  N64  1  0.35268879  0.10957050  0.45927789  1
  N  N65  1  0.14608720  0.88965770  0.96116266  1
  N  N66  1  0.64162111  0.88773811  0.54130995  1
  N  N67  1  0.85798526  0.11325418  0.04146561  1
  N  N68  1  0.03740932  0.92280479  0.57805626  1
  N  N69  1  0.45702887  0.07803808  0.07624561  1
  N  N70  1  0.98312134  0.09056899  0.42785910  1
  N  N71  1  0.51890874  0.90980704  0.92773804  1
  N  N72  1  0.09837880  0.83799916  0.61769366  1
  N  N73  1  0.39870287  0.16343654  0.11787135  1
  N  N74  1  0.91753237  0.17248159  0.38772253  1
  N  N75  1  0.58281513  0.82624914  0.88830502  1
  N  N76  1  0.15670516  0.75381701  0.65048599  1
  N  N77  1  0.34296370  0.24777531  0.15277485  1
  N  N78  1  0.84682553  0.24716333  0.35196373  1
  N  N79  1  0.65193364  0.75052157  0.85274808  1
  N  N80  1  0.96632295  0.19222062  0.64533140  1
  N  N81  1  0.52270816  0.80320929  0.14758606  1
  N  N82  1  0.05037218  0.80757256  0.34571128  1
  N  N83  1  0.45411802  0.19138738  0.84578141  1
  N  N84  1  0.87866403  0.15285890  0.72146114  1
  N  N85  1  0.61736542  0.84301473  0.22106906  1
  N  N86  1  0.13187708  0.83925759  0.26758528  1
  N  N87  1  0.37281344  0.16205436  0.76692563  1
  N  N88  1  0.78591903  0.11694700  0.79427057  1
  N  N89  1  0.71423893  0.87767875  0.29202730  1
  N  N90  1  0.21355037  0.86303178  0.18802130  1
  N  N91  1  0.29252371  0.14142854  0.68707601  1
