# generated using pymatgen
data_Mn2FeNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11593159
_cell_length_b   10.13578037
_cell_length_c   12.55196997
_cell_angle_alpha   90.04470185
_cell_angle_beta   89.95876451
_cell_angle_gamma   106.44999565
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Fe1 Ni1 H28 C28 N32'
_cell_volume   990.27616679
_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  0.15717209  0.13393724  0.55438185  1
  Fe  Fe1  1  0.33953330  0.87634303  0.05509017  1
  Mn  Mn2  1  0.84257638  0.86789590  0.44667756  1
  Ni  Ni3  1  0.66202859  0.13375108  0.94179722  1
  H  H4  1  0.11330640  0.44924519  0.58122191  1
  H  H5  1  0.38615291  0.54920293  0.08132838  1
  H  H6  1  0.88425900  0.55020399  0.41822491  1
  H  H7  1  0.61222151  0.44716915  0.91846373  1
  H  H8  1  0.18624606  0.64912446  0.46042714  1
  H  H9  1  0.31264955  0.35087023  0.96164512  1
  H  H10  1  0.81188817  0.35063764  0.53890341  1
  H  H11  1  0.68438858  0.64647825  0.03782269  1
  H  H12  1  0.38774151  0.65377706  0.30499892  1
  H  H13  1  0.10941896  0.34646043  0.80579307  1
  H  H14  1  0.61165431  0.34629821  0.69514615  1
  H  H15  1  0.88704736  0.65269920  0.19357733  1
  H  H16  1  0.49930422  0.44829205  0.27810997  1
  H  H17  1  1.00074019  0.55331291  0.77901635  1
  H  H18  1  0.50123985  0.55221273  0.72266660  1
  H  H19  1  -0.00083878  0.44767235  0.22073953  1
  H  H20  1  0.52670943  0.23117090  0.34648073  1
  H  H21  1  0.97408105  0.77147285  0.84893505  1
  H  H22  1  0.47263604  0.76863196  0.65438131  1
  H  H23  1  0.02819809  0.23138194  0.15198378  1
  H  H24  1  0.49446460  0.00057107  0.37762965  1
  H  H25  1  1.00672632  0.99774696  0.87740685  1
  H  H26  1  0.50471309  0.99963614  0.62293060  1
  H  H27  1  -0.00822154  -0.00014831  0.12286689  1
  H  H28  1  0.32853357  0.90203775  0.46164609  1
  H  H29  1  0.16961408  0.10006363  0.96166967  1
  H  H30  1  0.67089078  0.09801868  0.53876190  1
  H  H31  1  0.82783040  0.90104446  0.03640097  1
  C  C32  1  0.19249538  0.44852896  0.51109752  1
  C  C33  1  0.30672127  0.55154422  0.01153098  1
  C  C34  1  0.80592884  0.55143461  0.48871557  1
  C  C35  1  0.69297053  0.44587237  0.98768225  1
  C  C36  1  0.23754553  0.56285234  0.44397957  1
  C  C37  1  0.26145074  0.43704177  0.94454724  1
  C  C38  1  0.76113799  0.43707609  0.55580678  1
  C  C39  1  0.73655533  0.56071448  0.05464021  1
  C  C40  1  0.34882599  0.56520131  0.35796238  1
  C  C41  1  0.15007199  0.43505272  0.85870154  1
  C  C42  1  0.65064297  0.43489798  0.64221757  1
  C  C43  1  0.84807440  0.56409457  0.14055262  1
  C  C44  1  0.41240738  0.45351190  0.34309675  1
  C  C45  1  0.08745739  0.54714339  0.84383318  1
  C  C46  1  0.58758071  0.54680052  0.65740338  1
  C  C47  1  0.91256077  0.45295193  0.15560069  1
  C  C48  1  0.35919459  0.34034988  0.41264723  1
  C  C49  1  0.14149535  0.66046922  0.91359933  1
  C  C50  1  0.64038566  0.65993353  0.58775861  1
  C  C51  1  0.86047176  0.33954410  0.08586899  1
  C  C52  1  0.42208710  0.22208305  0.40381799  1
  C  C53  1  0.07982738  0.77930529  0.90495827  1
  C  C54  1  0.57714697  0.77803054  0.59691118  1
  C  C55  1  0.92297432  0.22066876  0.09516628  1
  C  C56  1  0.43274563  -0.00211736  0.45601380  1
  C  C57  1  0.06752572  1.00292706  0.95620399  1
  C  C58  1  0.56629291  1.00243688  0.54449783  1
  C  C59  1  0.93187453  -0.00336141  0.04386709  1
  N  N60  1  0.24469166  0.33507867  0.49400852  1
  N  N61  1  0.25448496  0.66461780  0.99526304  1
  N  N62  1  0.75470060  0.66528012  0.50616916  1
  N  N63  1  0.74854105  0.33444581  0.00381405  1
  N  N64  1  0.35575181  0.11297171  0.46117369  1
  N  N65  1  0.14724482  0.88953589  0.96148554  1
  N  N66  1  0.64305127  0.88733818  0.53974659  1
  N  N67  1  0.85524833  0.11162704  0.03898978  1
  N  N68  1  0.03436627  0.91573540  0.57449273  1
  N  N69  1  0.47325619  0.08098127  0.08085549  1
  N  N70  1  0.96562716  0.08472660  0.42568545  1
  N  N71  1  0.51893104  0.91580914  0.92538378  1
  N  N72  1  0.09551885  0.83200651  0.61534033  1
  N  N73  1  0.40808690  0.16592506  0.11585979  1
  N  N74  1  0.90443718  0.16815204  0.38441011  1
  N  N75  1  0.58567846  0.83231509  0.88966416  1
  N  N76  1  0.15746438  0.75061640  0.64997512  1
  N  N77  1  0.34254143  0.24739870  0.14640458  1
  N  N78  1  0.84208858  0.24912861  0.34946258  1
  N  N79  1  0.65623802  0.75579193  0.85585629  1
  N  N80  1  0.96461559  0.19295976  0.65497742  1
  N  N81  1  0.53472546  0.80403210  0.14740093  1
  N  N82  1  0.04524697  0.80766553  0.34231763  1
  N  N83  1  0.46587503  0.19523400  0.85359251  1
  N  N84  1  0.87780775  0.15821591  0.73217780  1
  N  N85  1  0.62052221  0.84293884  0.22414221  1
  N  N86  1  0.12914958  0.84051917  0.26444777  1
  N  N87  1  0.38281124  0.15769580  0.77570109  1
  N  N88  1  0.78472210  0.12655978  0.80527473  1
  N  N89  1  0.71057330  0.87581353  0.29890166  1
  N  N90  1  0.22287368  0.87364818  0.19073803  1
  N  N91  1  0.29377987  0.12305092  0.70049589  1
