# generated using pymatgen
data_Mn2CrNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11695355
_cell_length_b   10.13581653
_cell_length_c   12.55379295
_cell_angle_alpha   90.04804713
_cell_angle_beta   89.96336862
_cell_angle_gamma   106.45209325
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Ni1 H28 C28 N32'
_cell_volume   990.53752844
_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  0.15780581  0.13397033  0.55493393  1
  Cr  Cr1  1  0.35050920  0.87400767  0.05285626  1
  Mn  Mn2  1  0.84325147  0.86761984  0.44836681  1
  Ni  Ni3  1  0.66255425  0.13510187  0.94151037  1
  H  H4  1  0.11314068  0.44902728  0.58116948  1
  H  H5  1  0.38634724  0.55081793  0.08244463  1
  H  H6  1  0.88442759  0.55080272  0.41838907  1
  H  H7  1  0.61222232  0.44614730  0.91834549  1
  H  H8  1  0.18637613  0.64911681  0.46056477  1
  H  H9  1  0.31307449  0.35240560  0.96234706  1
  H  H10  1  0.81201139  0.35078826  0.53867341  1
  H  H11  1  0.68475912  0.64627611  0.03775108  1
  H  H12  1  0.38813424  0.65395566  0.30543279  1
  H  H13  1  0.11040059  0.34763483  0.80673460  1
  H  H14  1  0.61115819  0.34609817  0.69501767  1
  H  H15  1  0.88741542  0.65300773  0.19294369  1
  H  H16  1  0.50007948  0.44859078  0.27857595  1
  H  H17  1  1.00066228  0.55322431  0.77970389  1
  H  H18  1  0.50013176  0.55131191  0.72227093  1
  H  H19  1  -0.00069941  0.44765153  0.22073975  1
  H  H20  1  0.52762867  0.23158557  0.34718694  1
  H  H21  1  0.97314901  0.77149250  0.84811653  1
  H  H22  1  0.47125875  0.76846471  0.65378562  1
  H  H23  1  0.02720535  0.23085805  0.15246521  1
  H  H24  1  0.49508438  0.00109060  0.37784125  1
  H  H25  1  1.00644770  1.00056048  0.87672333  1
  H  H26  1  0.50437647  0.99946754  0.62305272  1
  H  H27  1  -0.00622995  0.00091788  0.12196713  1
  H  H28  1  0.32908320  0.90220025  0.46167870  1
  H  H29  1  0.16997012  0.10190739  0.96097955  1
  H  H30  1  0.67079617  0.09826605  0.53919862  1
  H  H31  1  0.83018162  0.90106278  0.03612777  1
  C  C32  1  0.19250218  0.44844770  0.51112184  1
  C  C33  1  0.30683580  0.55317195  0.01266246  1
  C  C34  1  0.80602354  0.55165054  0.48888207  1
  C  C35  1  0.69274325  0.44534071  0.98773611  1
  C  C36  1  0.23770200  0.56286383  0.44411564  1
  C  C37  1  0.26189451  0.43872495  0.94572794  1
  C  C38  1  0.76113652  0.43711307  0.55571731  1
  C  C39  1  0.73666145  0.56042983  0.05462216  1
  C  C40  1  0.34926533  0.56535740  0.35829657  1
  C  C41  1  0.15046201  0.43616384  0.85975553  1
  C  C42  1  0.65034674  0.43462819  0.64201265  1
  C  C43  1  0.84831459  0.56400584  0.14040302  1
  C  C44  1  0.41298396  0.45376366  0.34344817  1
  C  C45  1  0.08712616  0.54792324  0.84486952  1
  C  C46  1  0.58684923  0.54634539  0.65712551  1
  C  C47  1  0.91263394  0.45282514  0.15562703  1
  C  C48  1  0.35952446  0.34049565  0.41287654  1
  C  C49  1  0.14038729  0.66160281  0.91421307  1
  C  C50  1  0.63969066  0.65975809  0.58779290  1
  C  C51  1  0.86013835  0.33928514  0.08610618  1
  C  C52  1  0.42254212  0.22235481  0.40416703  1
  C  C53  1  0.07901402  0.78050212  0.90451682  1
  C  C54  1  0.57644407  0.77786946  0.59680545  1
  C  C55  1  0.92262853  0.22051991  0.09529684  1
  C  C56  1  0.43313060  -0.00183066  0.45614090  1
  C  C57  1  0.06807819  1.00469253  0.95512304  1
  C  C58  1  0.56633704  1.00257903  0.54473451  1
  C  C59  1  0.93296457  -0.00249311  0.04323371  1
  N  N60  1  0.24473632  0.33502579  0.49409009  1
  N  N61  1  0.25405696  0.66642433  0.99620796  1
  N  N62  1  0.75471164  0.66543621  0.50658356  1
  N  N63  1  0.74732110  0.33350831  0.00439773  1
  N  N64  1  0.35590800  0.11311805  0.46135133  1
  N  N65  1  0.14810692  0.89143847  0.95992859  1
  N  N66  1  0.64302339  0.88743779  0.54000396  1
  N  N67  1  0.85485043  0.11161493  0.03882622  1
  N  N68  1  0.03523168  0.91619463  0.57623798  1
  N  N69  1  0.46848460  0.07817571  0.08021544  1
  N  N70  1  0.96461082  0.08370786  0.42640448  1
  N  N71  1  0.51366088  0.90858633  0.92712241  1
  N  N72  1  0.09665194  0.83231831  0.61652683  1
  N  N73  1  0.40767575  0.16487819  0.11656103  1
  N  N74  1  0.90396857  0.16708872  0.38463070  1
  N  N75  1  0.58476812  0.83055811  0.88686246  1
  N  N76  1  0.15778868  0.74985136  0.65009176  1
  N  N77  1  0.34564823  0.24837486  0.14672119  1
  N  N78  1  0.84265788  0.24853737  0.34939127  1
  N  N79  1  0.65847757  0.75687702  0.85243957  1
  N  N80  1  0.96485392  0.19357389  0.65489679  1
  N  N81  1  0.53639654  0.81036253  0.14381176  1
  N  N82  1  0.04530801  0.80973586  0.34430529  1
  N  N83  1  0.46737476  0.19536796  0.85387029  1
  N  N84  1  0.87835342  0.15920954  0.73220540  1
  N  N85  1  0.62031488  0.84457827  0.22229454  1
  N  N86  1  0.12773654  0.83918422  0.26579168  1
  N  N87  1  0.38352894  0.15715163  0.77634595  1
  N  N88  1  0.78597913  0.12798918  0.80573697  1
  N  N89  1  0.70889805  0.87382771  0.29748926  1
  N  N90  1  0.20838747  0.85821450  0.18602794  1
  N  N91  1  0.29346103  0.12214717  0.70161687  1
