# generated using pymatgen
data_Mn2VCoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11795244
_cell_length_b   10.13548100
_cell_length_c   12.55866403
_cell_angle_alpha   90.02855408
_cell_angle_beta   89.99063159
_cell_angle_gamma   106.44498460
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VCoH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Co1 H28 C28 N32'
_cell_volume   991.04762551
_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
  Co  Co0  1  0.14900572  0.12465074  0.54936848  1
  Mn  Mn1  1  0.33626571  0.86499838  0.05603030  1
  Mn  Mn2  1  0.84086449  0.86688471  0.44800949  1
  V  V3  1  0.65702620  0.12858061  0.94398115  1
  H  H4  1  0.11258596  0.44850483  0.57994584  1
  H  H5  1  0.38377422  0.54969388  0.07987882  1
  H  H6  1  0.88434266  0.55021380  0.41952538  1
  H  H7  1  0.61154423  0.44988550  0.91989284  1
  H  H8  1  0.18631340  0.64803685  0.46085859  1
  H  H9  1  0.31097172  0.34923804  0.95970794  1
  H  H10  1  0.81116796  0.34981242  0.53963958  1
  H  H11  1  0.68661350  0.64929639  0.03986634  1
  H  H12  1  0.38753373  0.65309545  0.30442581  1
  H  H13  1  0.11151028  0.34490065  0.80313403  1
  H  H14  1  0.61154249  0.34561140  0.69603360  1
  H  H15  1  0.88864010  0.65350594  0.19566591  1
  H  H16  1  0.50266009  0.44938491  0.27908428  1
  H  H17  1  0.99713297  0.54917225  0.77745611  1
  H  H18  1  0.49732238  0.54996696  0.72186807  1
  H  H19  1  0.00256714  0.44958044  0.22046602  1
  H  H20  1  0.52731164  0.23176748  0.34613291  1
  H  H21  1  0.97417587  0.76791690  0.84296449  1
  H  H22  1  0.47197603  0.76789601  0.65487985  1
  H  H23  1  0.02358261  0.22771860  0.15374517  1
  H  H24  1  0.50072687  0.00549056  0.37728118  1
  H  H25  1  0.99875265  0.99532258  0.87669167  1
  H  H26  1  0.49858098  0.99578240  0.62229202  1
  H  H27  1  -0.00080896  0.00575752  0.12184077  1
  H  H28  1  0.33166396  0.90223549  0.45746950  1
  H  H29  1  0.16757727  0.09636718  0.95731160  1
  H  H30  1  0.66800976  0.09718775  0.54190748  1
  H  H31  1  0.83081656  0.90155296  0.04224067  1
  C  C32  1  0.19334030  0.44718351  0.51065347  1
  C  C33  1  0.30423336  0.54978496  0.00988400  1
  C  C34  1  0.80476293  0.55051167  0.48946942  1
  C  C35  1  0.69185482  0.44867368  0.98944978  1
  C  C36  1  0.23827882  0.56220300  0.44411836  1
  C  C37  1  0.25960307  0.43532240  0.94288557  1
  C  C38  1  0.75985426  0.43604687  0.55636101  1
  C  C39  1  0.73806946  0.56312038  0.05625254  1
  C  C40  1  0.34986419  0.56528654  0.35824084  1
  C  C41  1  0.14863942  0.43281931  0.85681314  1
  C  C42  1  0.64879973  0.43352379  0.64246061  1
  C  C43  1  0.85012892  0.56560715  0.14196165  1
  C  C44  1  0.41499133  0.45441363  0.34365873  1
  C  C45  1  0.08453723  0.54423637  0.84213665  1
  C  C46  1  0.58443970  0.54480605  0.65701679  1
  C  C47  1  0.91398434  0.45408792  0.15636446  1
  C  C48  1  0.36153872  0.34088234  0.41309873  1
  C  C49  1  0.13799709  0.65769352  0.91149574  1
  C  C50  1  0.63778902  0.65821906  0.58766936  1
  C  C51  1  0.85910152  0.34012936  0.08737322  1
  C  C52  1  0.42361012  0.22204703  0.40386039  1
  C  C53  1  0.07615690  0.77629828  0.90198662  1
  C  C54  1  0.57557604  0.77662688  0.59696508  1
  C  C55  1  0.92058609  0.22189839  0.09596384  1
  C  C56  1  0.43473960  -0.00114005  0.45459800  1
  C  C57  1  0.06349580  1.00014435  0.95422043  1
  C  C58  1  0.56407733  1.00088975  0.54504622  1
  C  C59  1  0.93411138  -0.00165230  0.04420400  1
  N  N60  1  0.24741407  0.33511194  0.49412082  1
  N  N61  1  0.25267827  0.66325321  0.99254105  1
  N  N62  1  0.75285321  0.66404518  0.50666954  1
  N  N63  1  0.74368445  0.33500218  0.00613857  1
  N  N64  1  0.35633767  0.11286154  0.46038560  1
  N  N65  1  0.14043264  0.88515595  0.96011081  1
  N  N66  1  0.64122196  0.88588299  0.53956641  1
  N  N67  1  0.85574500  0.11264994  0.03692709  1
  N  N68  1  0.02955982  0.92116990  0.57521560  1
  N  N69  1  0.48243935  0.09232818  0.06929487  1
  N  N70  1  0.97328964  0.08318572  0.42726066  1
  N  N71  1  0.54157128  0.92283512  0.92494289  1
  N  N72  1  0.09568708  0.83921128  0.61422812  1
  N  N73  1  0.41898403  0.17555065  0.10977640  1
  N  N74  1  0.91565102  0.17102898  0.38955679  1
  N  N75  1  0.59888706  0.83616077  0.88411984  1
  N  N76  1  0.15443677  0.75493010  0.64738481  1
  N  N77  1  0.34953648  0.24967765  0.14762918  1
  N  N78  1  0.85117670  0.25044233  0.35392208  1
  N  N79  1  0.65121957  0.74940168  0.85022570  1
  N  N80  1  0.95924435  0.19320683  0.65301669  1
  N  N81  1  0.53047141  0.80052815  0.14949636  1
  N  N82  1  0.03073725  0.80179370  0.35124951  1
  N  N83  1  0.47953606  0.19569436  0.85087902  1
  N  N84  1  0.87362084  0.15704679  0.72904744  1
  N  N85  1  0.62227834  0.84080080  0.22358328  1
  N  N86  1  0.12228460  0.84248265  0.27723481  1
  N  N87  1  0.38369616  0.15787412  0.77707574  1
  N  N88  1  0.78478268  0.12963676  0.80583049  1
  N  N89  1  0.72046925  0.88348288  0.29330512  1
  N  N90  1  0.22000816  0.88592765  0.20729830  1
  N  N91  1  0.28416016  0.12198281  0.70817469  1
