# generated using pymatgen
data_MnFeH14(C7N8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11729275
_cell_length_b   10.13656506
_cell_length_c   12.55529071
_cell_angle_alpha   90.03436579
_cell_angle_beta   89.98764538
_cell_angle_gamma   106.44733528
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeH14(C7N8)2
_chemical_formula_sum   'Mn2 Fe2 H28 C28 N32'
_cell_volume   990.79481691
_cell_formula_units_Z   2
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  0.15846574  0.13294596  0.55230629  1
  Fe  Fe1  1  0.33574143  0.87645994  0.05755254  1
  Fe  Fe2  1  0.83587364  0.87628297  0.44218725  1
  Mn  Mn3  1  0.65849963  0.13306255  0.94774909  1
  H  H4  1  0.11369944  0.44848258  0.58011943  1
  H  H5  1  0.38542134  0.54828433  0.08086433  1
  H  H6  1  0.88546344  0.54845719  0.41871088  1
  H  H7  1  0.61384360  0.44876879  0.92034542  1
  H  H8  1  0.18629716  0.64907596  0.45991078  1
  H  H9  1  0.31227667  0.35050143  0.96093108  1
  H  H10  1  0.81261952  0.35078286  0.53861062  1
  H  H11  1  0.68685607  0.64947672  0.04058207  1
  H  H12  1  0.38697678  0.65406208  0.30405402  1
  H  H13  1  0.11110116  0.34688631  0.80415204  1
  H  H14  1  0.61201485  0.34739003  0.69568687  1
  H  H15  1  0.88841113  0.65472271  0.19602721  1
  H  H16  1  0.50239745  0.45063716  0.27828564  1
  H  H17  1  0.99957062  0.55250317  0.77881295  1
  H  H18  1  0.50004615  0.55279228  0.72110045  1
  H  H19  1  0.00314026  0.45102472  0.22176709  1
  H  H20  1  0.52842827  0.23245310  0.34536197  1
  H  H21  1  0.97552340  0.77154088  0.84681123  1
  H  H22  1  0.47504473  0.77150899  0.65279169  1
  H  H23  1  0.02839389  0.23257257  0.15481369  1
  H  H24  1  0.49836176  0.00309522  0.37635403  1
  H  H25  1  1.00188381  0.99529496  0.87823266  1
  H  H26  1  0.50165611  0.99532737  0.62165313  1
  H  H27  1  -0.00190042  0.00304426  0.12355676  1
  H  H28  1  0.33074835  0.90234097  0.45814420  1
  H  H29  1  0.16870208  0.09888719  0.95923389  1
  H  H30  1  0.66853265  0.09897526  0.54077807  1
  H  H31  1  0.83044437  0.90256689  0.04152380  1
  C  C32  1  0.19314454  0.44836658  0.51007044  1
  C  C33  1  0.30546205  0.55075903  0.01131441  1
  C  C34  1  0.80559884  0.55095358  0.48832807  1
  C  C35  1  0.69341307  0.44866691  0.99031917  1
  C  C36  1  0.23794212  0.56301833  0.44335984  1
  C  C37  1  0.26075227  0.43650739  0.94401474  1
  C  C38  1  0.76110972  0.43679719  0.55562893  1
  C  C39  1  0.73850047  0.56341870  0.05702036  1
  C  C40  1  0.34940527  0.56588783  0.35744999  1
  C  C41  1  0.14994030  0.43465011  0.85790876  1
  C  C42  1  0.65050667  0.43502322  0.64185732  1
  C  C43  1  0.85027562  0.56638305  0.14275817  1
  C  C44  1  0.41428101  0.45488172  0.34277980  1
  C  C45  1  0.08667079  0.54644508  0.84340754  1
  C  C46  1  0.58704279  0.54673179  0.65641476  1
  C  C47  1  0.91492280  0.45526094  0.15735391  1
  C  C48  1  0.36079677  0.34121036  0.41180657  1
  C  C49  1  0.14022322  0.65939816  0.91351602  1
  C  C50  1  0.64030518  0.65957375  0.58627983  1
  C  C51  1  0.86110055  0.34147796  0.08835920  1
  C  C52  1  0.42387832  0.22314852  0.40271544  1
  C  C53  1  0.07889463  0.77826765  0.90436600  1
  C  C54  1  0.57875236  0.77834663  0.59542921  1
  C  C55  1  0.92401759  0.22332965  0.09736296  1
  C  C56  1  0.43468330  -0.00141264  0.45422097  1
  C  C57  1  0.06586802  1.00200545  0.95615446  1
  C  C58  1  0.56579339  1.00203574  0.54377499  1
  C  C59  1  0.93462283  -0.00133442  0.04564206  1
  N  N60  1  0.24509982  0.33499446  0.49247122  1
  N  N61  1  0.25261828  0.66360743  0.99566099  1
  N  N62  1  0.75270459  0.66378050  0.50409247  1
  N  N63  1  0.74529510  0.33525917  0.00778289  1
  N  N64  1  0.35756640  0.11355506  0.45956713  1
  N  N65  1  0.14456398  0.88812898  0.96155536  1
  N  N66  1  0.64454928  0.88821264  0.53836649  1
  N  N67  1  0.85775943  0.11378794  0.04035777  1
  N  N68  1  0.02105267  0.91368472  0.56745665  1
  N  N69  1  0.46959495  0.08118183  0.07773293  1
  N  N70  1  0.96959086  0.08102444  0.42226261  1
  N  N71  1  0.52146090  0.91353528  0.93306821  1
  N  N72  1  0.08120592  0.82848759  0.60752979  1
  N  N73  1  0.40458819  0.16420010  0.11707262  1
  N  N74  1  0.90459136  0.16394984  0.38289135  1
  N  N75  1  0.58140048  0.82824500  0.89284477  1
  N  N76  1  0.14816921  0.75229866  0.64540936  1
  N  N77  1  0.34230287  0.24663223  0.14913581  1
  N  N78  1  0.84223145  0.24627282  0.35078468  1
  N  N79  1  0.64815425  0.75200020  0.85473645  1
  N  N80  1  0.96786965  0.19621996  0.64874215  1
  N  N81  1  0.54517912  0.80337470  0.15733912  1
  N  N82  1  0.04598868  0.80410967  0.34326872  1
  N  N83  1  0.46840380  0.19652970  0.85120874  1
  N  N84  1  0.87899079  0.15749404  0.72432573  1
  N  N85  1  0.63042988  0.84230364  0.23364658  1
  N  N86  1  0.13036842  0.84274179  0.26651681  1
  N  N87  1  0.37934914  0.15795914  0.77567387  1
  N  N88  1  0.78435259  0.11680110  0.79602823  1
  N  N89  1  0.72415813  0.87591317  0.30723226  1
  N  N90  1  0.22343178  0.87619181  0.19261395  1
  N  N91  1  0.28454547  0.11753296  0.70401201  1
