# generated using pymatgen
data_Mn2FeNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11774232
_cell_length_b   10.13457648
_cell_length_c   12.55794208
_cell_angle_alpha   90.03597135
_cell_angle_beta   89.99052488
_cell_angle_gamma   106.43812163
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Fe1 Ni1 H28 C28 N32'
_cell_volume   990.91152101
_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
  Fe  Fe0  1  0.16405553  0.12702453  0.55802390  1
  Ni  Ni1  1  0.33962525  0.86579405  0.05626490  1
  Mn  Mn2  1  0.84117429  0.86623711  0.44436792  1
  Mn  Mn3  1  0.65801968  0.12970387  0.94707762  1
  H  H4  1  0.11321629  0.45030049  0.57911503  1
  H  H5  1  0.38539987  0.55021817  0.08006185  1
  H  H6  1  0.88424861  0.54975044  0.41973968  1
  H  H7  1  0.61392984  0.44956291  0.92148188  1
  H  H8  1  0.18633770  0.64897207  0.46001116  1
  H  H9  1  0.31142319  0.35101020  0.96081045  1
  H  H10  1  0.81140902  0.34984031  0.54003665  1
  H  H11  1  0.68786233  0.64994090  0.04103558  1
  H  H12  1  0.38799290  0.65386531  0.30325630  1
  H  H13  1  0.11177357  0.34651463  0.80385278  1
  H  H14  1  0.61194624  0.34603317  0.69677078  1
  H  H15  1  0.89148848  0.65573687  0.19624253  1
  H  H16  1  0.50316084  0.45012207  0.27839368  1
  H  H17  1  0.99755148  0.55086750  0.77850169  1
  H  H18  1  0.49749243  0.54989574  0.72213811  1
  H  H19  1  0.00493753  0.45154050  0.22168369  1
  H  H20  1  0.52524031  0.22852949  0.34506669  1
  H  H21  1  0.97413311  0.76892590  0.84462802  1
  H  H22  1  0.47386894  0.76886980  0.65568848  1
  H  H23  1  0.02767958  0.23256278  0.15635506  1
  H  H24  1  0.50167585  0.00783502  0.37712297  1
  H  H25  1  0.99980322  0.99486406  0.87804801  1
  H  H26  1  0.49851931  0.99444562  0.62228315  1
  H  H27  1  0.00310039  0.00570532  0.12318672  1
  H  H28  1  0.33234118  0.90268881  0.45526929  1
  H  H29  1  0.17015039  0.09719075  0.95807839  1
  H  H30  1  0.66810874  0.09647207  0.54265573  1
  H  H31  1  0.83312895  0.90372556  0.04345296  1
  C  C32  1  0.19449309  0.44900125  0.51001855  1
  C  C33  1  0.30376730  0.55169278  0.01127720  1
  C  C34  1  0.80424034  0.55015303  0.48944531  1
  C  C35  1  0.69482788  0.44928874  0.99078960  1
  C  C36  1  0.23900355  0.56356047  0.44310046  1
  C  C37  1  0.25974027  0.43698159  0.94413284  1
  C  C38  1  0.75975631  0.43588027  0.55656569  1
  C  C39  1  0.74002653  0.56415823  0.05746580  1
  C  C40  1  0.35067069  0.56629819  0.35733849  1
  C  C41  1  0.14887660  0.43407557  0.85798758  1
  C  C42  1  0.64899425  0.43361360  0.64275220  1
  C  C43  1  0.85231226  0.56743685  0.14292885  1
  C  C44  1  0.41553338  0.45523939  0.34294721  1
  C  C45  1  0.08426982  0.54521626  0.84343352  1
  C  C46  1  0.58452778  0.54488903  0.65721457  1
  C  C47  1  0.91674028  0.45616717  0.15736091  1
  C  C48  1  0.36215682  0.34178460  0.41252612  1
  C  C49  1  0.13675086  0.65832229  0.91342267  1
  C  C50  1  0.63761168  0.65795385  0.58758043  1
  C  C51  1  0.86287473  0.34244050  0.08822542  1
  C  C52  1  0.42292398  0.22266379  0.40326974  1
  C  C53  1  0.07595870  0.77786346  0.90352812  1
  C  C54  1  0.57600249  0.77666472  0.59691642  1
  C  C55  1  0.92495458  0.22391672  0.09777507  1
  C  C56  1  0.43537597  -0.00039437  0.45437997  1
  C  C57  1  0.06612036  1.00106007  0.95517773  1
  C  C58  1  0.56416583  1.00015387  0.54503255  1
  C  C59  1  0.93717559  -0.00002224  0.04607991  1
  N  N60  1  0.24897514  0.33687634  0.49437149  1
  N  N61  1  0.24830009  0.66320279  0.99570291  1
  N  N62  1  0.75209488  0.66344891  0.50628556  1
  N  N63  1  0.74777761  0.33638097  0.00719201  1
  N  N64  1  0.35707125  0.11364810  0.46131676  1
  N  N65  1  0.14254984  0.88608402  0.96085090  1
  N  N66  1  0.64093392  0.88510649  0.53858963  1
  N  N67  1  0.86010288  0.11464761  0.04030391  1
  N  N68  1  0.02967718  0.91753028  0.57411403  1
  N  N69  1  0.46974355  0.08235710  0.07550331  1
  N  N70  1  0.97767253  0.08719052  0.43035334  1
  N  N71  1  0.52836029  0.91509068  0.92511157  1
  N  N72  1  0.09300486  0.83441868  0.61471015  1
  N  N73  1  0.40564455  0.16527258  0.11454495  1
  N  N74  1  0.91769060  0.17261073  0.39065351  1
  N  N75  1  0.58703498  0.82785377  0.88808635  1
  N  N76  1  0.15318352  0.75133752  0.64803261  1
  N  N77  1  0.34565481  0.24896725  0.14765330  1
  N  N78  1  0.85104471  0.24949945  0.35353855  1
  N  N79  1  0.65083716  0.74716532  0.85375054  1
  N  N80  1  0.97017396  0.20011715  0.64958815  1
  N  N81  1  0.52872398  0.79874427  0.14990184  1
  N  N82  1  0.03363813  0.80204713  0.34699192  1
  N  N83  1  0.45895610  0.19587841  0.84318635  1
  N  N84  1  0.87898891  0.15744239  0.72354153  1
  N  N85  1  0.62081943  0.84218651  0.22306569  1
  N  N86  1  0.12485505  0.83961102  0.27194386  1
  N  N87  1  0.36946128  0.15906185  0.76820260  1
  N  N88  1  0.78053788  0.11592093  0.79329390  1
  N  N89  1  0.72030391  0.88561068  0.29232526  1
  N  N90  1  0.22190592  0.88259522  0.20192015  1
  N  N91  1  0.27364114  0.12130592  0.69601165  1
