# generated using pymatgen
data_Mn2CoNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11801406
_cell_length_b   10.13373019
_cell_length_c   12.55945283
_cell_angle_alpha   90.04211042
_cell_angle_beta   89.97994600
_cell_angle_gamma   106.43353623
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CoNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Co1 Ni1 H28 C28 N32'
_cell_volume   991.00445884
_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  0.15947527  0.13405675  0.55590305  1
  Ni  Ni1  1  0.33950648  0.86610778  0.05425665  1
  Mn  Mn2  1  0.84032511  0.86538406  0.44361382  1
  Co  Co3  1  0.65427560  0.12878528  0.94674952  1
  H  H4  1  0.11392917  0.44939141  0.57856339  1
  H  H5  1  0.38554449  0.54981555  0.07936352  1
  H  H6  1  0.88402929  0.54952230  0.42030729  1
  H  H7  1  0.61264074  0.44984757  0.92180964  1
  H  H8  1  0.18715240  0.64988092  0.45908697  1
  H  H9  1  0.31156688  0.35068519  0.96091675  1
  H  H10  1  0.81120017  0.34952608  0.54011844  1
  H  H11  1  0.68712393  0.64928030  0.04009397  1
  H  H12  1  0.38847672  0.65455964  0.30260863  1
  H  H13  1  0.11048562  0.34624794  0.80381656  1
  H  H14  1  0.61167682  0.34586920  0.69730869  1
  H  H15  1  0.89082964  0.65477412  0.19600653  1
  H  H16  1  0.50440597  0.45146767  0.27768408  1
  H  H17  1  0.99662008  0.55043690  0.77850645  1
  H  H18  1  0.49670106  0.54950001  0.72249722  1
  H  H19  1  0.00522888  0.45081194  0.22132239  1
  H  H20  1  0.52646671  0.23151637  0.34250293  1
  H  H21  1  0.97410915  0.76870728  0.84394951  1
  H  H22  1  0.47399663  0.76911894  0.65693672  1
  H  H23  1  0.02610689  0.23160461  0.15592823  1
  H  H24  1  0.50381854  0.00720492  0.37679343  1
  H  H25  1  0.99847565  0.99317587  0.87780076  1
  H  H26  1  0.49691273  0.99330324  0.62211063  1
  H  H27  1  0.00232870  0.00774667  0.12293088  1
  H  H28  1  0.33304024  0.90457321  0.45479433  1
  H  H29  1  0.16820973  0.09661879  0.95736210  1
  H  H30  1  0.66771603  0.09555766  0.54399834  1
  H  H31  1  0.83274932  0.90364827  0.04390770  1
  C  C32  1  0.19564433  0.44968508  0.50952711  1
  C  C33  1  0.30370148  0.55154714  0.01077946  1
  C  C34  1  0.80309082  0.54976975  0.48961496  1
  C  C35  1  0.69466881  0.44857556  0.99042716  1
  C  C36  1  0.24002723  0.56435859  0.44263993  1
  C  C37  1  0.25968675  0.43664127  0.94386957  1
  C  C38  1  0.75890365  0.43532447  0.55674962  1
  C  C39  1  0.73950354  0.56362966  0.05702527  1
  C  C40  1  0.35172246  0.56712025  0.35685794  1
  C  C41  1  0.14835403  0.43381100  0.85798855  1
  C  C42  1  0.64810467  0.43313836  0.64294155  1
  C  C43  1  0.85205192  0.56673510  0.14237854  1
  C  C44  1  0.41700677  0.45616760  0.34251995  1
  C  C45  1  0.08366393  0.54491357  0.84337036  1
  C  C46  1  0.58329532  0.54430650  0.65732775  1
  C  C47  1  0.91716728  0.45584896  0.15695939  1
  C  C48  1  0.36404383  0.34275257  0.41191973  1
  C  C49  1  0.13632401  0.65821078  0.91316085  1
  C  C50  1  0.63595766  0.65740439  0.58760865  1
  C  C51  1  0.86336302  0.34226098  0.08756245  1
  C  C52  1  0.42524758  0.22382033  0.40197785  1
  C  C53  1  0.07550479  0.77768986  0.90314234  1
  C  C54  1  0.57507898  0.77644835  0.59745322  1
  C  C55  1  0.92436935  0.22284700  0.09695042  1
  C  C56  1  0.43697493  0.00077809  0.45370782  1
  C  C57  1  0.06466968  1.00037015  0.95494979  1
  C  C58  1  0.56370065  0.99941729  0.54517962  1
  C  C59  1  0.93606809  0.00017038  0.04577300  1
  N  N60  1  0.24989680  0.33719118  0.49343739  1
  N  N61  1  0.24784464  0.66306726  0.99540843  1
  N  N62  1  0.74959049  0.66261966  0.50582027  1
  N  N63  1  0.75025500  0.33712940  0.00626058  1
  N  N64  1  0.36018532  0.11571159  0.46059086  1
  N  N65  1  0.14142252  0.88571719  0.96078936  1
  N  N66  1  0.64023600  0.88428382  0.53848729  1
  N  N67  1  0.85861437  0.11448243  0.03928066  1
  N  N68  1  0.03030684  0.91409641  0.57309532  1
  N  N69  1  0.47462765  0.08175785  0.07354653  1
  N  N70  1  0.96935180  0.08580302  0.42650956  1
  N  N71  1  0.52731606  0.91876571  0.92561407  1
  N  N72  1  0.08967721  0.82918410  0.61372592  1
  N  N73  1  0.41366524  0.16811470  0.10993813  1
  N  N74  1  0.90986754  0.17052206  0.38574633  1
  N  N75  1  0.59059912  0.83445253  0.88834345  1
  N  N76  1  0.15134008  0.74734423  0.64790781  1
  N  N77  1  0.35064623  0.24890797  0.14544716  1
  N  N78  1  0.84827096  0.25241380  0.35152128  1
  N  N79  1  0.65009324  0.75049222  0.85468391  1
  N  N80  1  0.96715038  0.19971924  0.65468942  1
  N  N81  1  0.52915807  0.79865648  0.14954901  1
  N  N82  1  0.03229041  0.80023826  0.34645377  1
  N  N83  1  0.47262601  0.19892758  0.85143338  1
  N  N84  1  0.87286785  0.16006453  0.72807290  1
  N  N85  1  0.62119079  0.84122858  0.22284433  1
  N  N86  1  0.12587590  0.83896603  0.27256810  1
  N  N87  1  0.38040598  0.15856533  0.77790954  1
  N  N88  1  0.77434914  0.11278017  0.79654270  1
  N  N89  1  0.72141908  0.88434681  0.29184001  1
  N  N90  1  0.22451811  0.88526290  0.20384367  1
  N  N91  1  0.28132802  0.11673376  0.70819975  1
