# generated using pymatgen
data_Mn2CrNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11796127
_cell_length_b   10.13522506
_cell_length_c   12.55735340
_cell_angle_alpha   90.03408575
_cell_angle_beta   89.98419522
_cell_angle_gamma   106.44485000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Ni1 H28 C28 N32'
_cell_volume   990.92088096
_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  0.15720957  0.13156600  0.55118560  1
  Cr  Cr1  1  0.34762951  0.87183284  0.05679158  1
  Ni  Ni2  1  0.84723022  0.87223942  0.45155502  1
  Mn  Mn3  1  0.66099468  0.13317922  0.94591940  1
  H  H4  1  0.11358111  0.44859158  0.57992921  1
  H  H5  1  0.38565413  0.54881558  0.08177046  1
  H  H6  1  0.88556119  0.55142711  0.41842748  1
  H  H7  1  0.61445358  0.44947689  0.92064470  1
  H  H8  1  0.18694988  0.64934019  0.46011117  1
  H  H9  1  0.31270551  0.35117476  0.96073871  1
  H  H10  1  0.81255217  0.35234615  0.53766491  1
  H  H11  1  0.68706711  0.64994005  0.04095429  1
  H  H12  1  0.38928887  0.65494569  0.30497215  1
  H  H13  1  0.11207109  0.34795507  0.80446779  1
  H  H14  1  0.61300502  0.34774670  0.69469795  1
  H  H15  1  0.88919471  0.65544858  0.19628066  1
  H  H16  1  0.50343622  0.45072164  0.27885737  1
  H  H17  1  1.00030341  0.55275778  0.77890940  1
  H  H18  1  0.49949181  0.55228125  0.72091698  1
  H  H19  1  0.00304537  0.45107364  0.22228043  1
  H  H20  1  0.52933563  0.23286333  0.34612520  1
  H  H21  1  0.97613896  0.77186416  0.84634042  1
  H  H22  1  0.47186354  0.76865522  0.65290475  1
  H  H23  1  0.02689198  0.23243925  0.15606616  1
  H  H24  1  0.50016873  0.00283062  0.37678945  1
  H  H25  1  1.00240671  0.99749492  0.87828155  1
  H  H26  1  0.50195294  0.99724006  0.62172909  1
  H  H27  1  0.00009641  0.00359718  0.12338300  1
  H  H28  1  0.33188949  0.90212164  0.45817347  1
  H  H29  1  0.16994508  0.09998849  0.95950668  1
  H  H30  1  0.67051510  0.09846042  0.53948353  1
  H  H31  1  0.83275026  0.90318686  0.04158542  1
  C  C32  1  0.19314625  0.44839983  0.50994749  1
  C  C33  1  0.30492228  0.55092737  0.01255314  1
  C  C34  1  0.80560737  0.55349853  0.48792891  1
  C  C35  1  0.69409569  0.44933046  0.99058774  1
  C  C36  1  0.23845020  0.56321092  0.44341958  1
  C  C37  1  0.26072515  0.43721332  0.94484972  1
  C  C38  1  0.76117698  0.43849490  0.55463278  1
  C  C39  1  0.73879157  0.56394582  0.05751548  1
  C  C40  1  0.35046461  0.56629790  0.35776810  1
  C  C41  1  0.14998366  0.43540627  0.85862074  1
  C  C42  1  0.65063742  0.43564357  0.64099997  1
  C  C43  1  0.85069621  0.56692157  0.14318403  1
  C  C44  1  0.41500961  0.45511261  0.34313059  1
  C  C45  1  0.08623724  0.54707513  0.84427237  1
  C  C46  1  0.58608197  0.54679082  0.65578679  1
  C  C47  1  0.91492711  0.45555202  0.15788029  1
  C  C48  1  0.36097324  0.34117292  0.41194795  1
  C  C49  1  0.13881594  0.65994955  0.91448691  1
  C  C50  1  0.63866924  0.66012075  0.58603320  1
  C  C51  1  0.86111677  0.34186167  0.08873015  1
  C  C52  1  0.42410797  0.22308931  0.40305709  1
  C  C53  1  0.07879451  0.77942831  0.90474720  1
  C  C54  1  0.57616337  0.77878693  0.59557393  1
  C  C55  1  0.92361838  0.22349092  0.09788638  1
  C  C56  1  0.43563147  -0.00149755  0.45429258  1
  C  C57  1  0.06702943  1.00311251  0.95590941  1
  C  C58  1  0.56658873  1.00250362  0.54409153  1
  C  C59  1  0.93631784  -0.00041750  0.04566799  1
  N  N60  1  0.24500808  0.33490777  0.49246317  1
  N  N61  1  0.25059602  0.66370988  0.99735149  1
  N  N62  1  0.75240266  0.66609026  0.50460700  1
  N  N63  1  0.74625958  0.33609210  0.00773122  1
  N  N64  1  0.35751520  0.11301576  0.45936589  1
  N  N65  1  0.14628617  0.88924466  0.96177017  1
  N  N66  1  0.64468372  0.88824281  0.53997599  1
  N  N67  1  0.85860164  0.11407046  0.04046852  1
  N  N68  1  0.03028646  0.91674339  0.57679994  1
  N  N69  1  0.46564184  0.07861495  0.07782923  1
  N  N70  1  0.96660630  0.07734443  0.42200535  1
  N  N71  1  0.51726129  0.90800071  0.93149804  1
  N  N72  1  0.08882180  0.82902559  0.61322714  1
  N  N73  1  0.40341088  0.16316333  0.11710273  1
  N  N74  1  0.90159956  0.16057145  0.38415126  1
  N  N75  1  0.58156439  0.82636414  0.88957890  1
  N  N76  1  0.15235019  0.74778298  0.64657656  1
  N  N77  1  0.34515335  0.24773230  0.14936768  1
  N  N78  1  0.84313936  0.24569385  0.35243236  1
  N  N79  1  0.65077885  0.75124070  0.85256878  1
  N  N80  1  0.96842354  0.19658686  0.64891404  1
  N  N81  1  0.52879265  0.80609508  0.14804340  1
  N  N82  1  0.04434570  0.80359515  0.34655661  1
  N  N83  1  0.46894806  0.19731441  0.85068759  1
  N  N84  1  0.87901260  0.15751832  0.72413302  1
  N  N85  1  0.61973351  0.84428914  0.22378260  1
  N  N86  1  0.12691514  0.84015342  0.26920252  1
  N  N87  1  0.37921229  0.15888604  0.77538047  1
  N  N88  1  0.78337542  0.11596243  0.79532587  1
  N  N89  1  0.71678920  0.87994028  0.29411253  1
  N  N90  1  0.20883252  0.86533618  0.18979413  1
  N  N91  1  0.28349880  0.11766268  0.70426255  1
