# generated using pymatgen
data_Mn2CoNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11786566
_cell_length_b   10.13389154
_cell_length_c   12.55896560
_cell_angle_alpha   90.03402905
_cell_angle_beta   89.98698108
_cell_angle_gamma   106.43423798
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CoNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Co1 Ni1 H28 C28 N32'
_cell_volume   990.96019744
_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
  Ni  Ni0  1  0.16089974  0.13425237  0.55524348  1
  Co  Co1  1  0.34283157  0.86819311  0.05628256  1
  Mn  Mn2  1  0.84383413  0.86940742  0.44501612  1
  Mn  Mn3  1  0.65744873  0.13179410  0.94491472  1
  H  H4  1  0.11257034  0.44884779  0.57893078  1
  H  H5  1  0.38508808  0.54931162  0.07947488  1
  H  H6  1  0.88413864  0.54944112  0.42031594  1
  H  H7  1  0.61388454  0.44965534  0.92187604  1
  H  H8  1  0.18643922  0.64815365  0.46043243  1
  H  H9  1  0.31139253  0.35024529  0.96031941  1
  H  H10  1  0.81121455  0.34961799  0.53994226  1
  H  H11  1  0.68774625  0.65007594  0.04109781  1
  H  H12  1  0.38777024  0.65341302  0.30382275  1
  H  H13  1  0.11107707  0.34616585  0.80315936  1
  H  H14  1  0.61009924  0.34540784  0.69668177  1
  H  H15  1  0.89053887  0.65537565  0.19692812  1
  H  H16  1  0.50343836  0.44987806  0.27866810  1
  H  H17  1  0.99656336  0.55026541  0.77801078  1
  H  H18  1  0.49650229  0.54947115  0.72213176  1
  H  H19  1  0.00511662  0.45174386  0.22205197  1
  H  H20  1  0.52647702  0.23151193  0.34392967  1
  H  H21  1  0.97521390  0.76938229  0.84389603  1
  H  H22  1  0.47353061  0.76853222  0.65640725  1
  H  H23  1  0.02659742  0.23204264  0.15702197  1
  H  H24  1  0.50197163  0.00719881  0.37712609  1
  H  H25  1  0.99897110  0.99325296  0.87779556  1
  H  H26  1  0.49678638  0.99384707  0.62240783  1
  H  H27  1  0.00354902  0.00689748  0.12307491  1
  H  H28  1  0.33180428  0.90326529  0.45597261  1
  H  H29  1  0.16924334  0.09665963  0.95665120  1
  H  H30  1  0.66712334  0.09601933  0.54339280  1
  H  H31  1  0.83345251  0.90446133  0.04394566  1
  C  C32  1  0.19506987  0.44773410  0.51053652  1
  C  C33  1  0.30385381  0.55064380  0.01048852  1
  C  C34  1  0.80354566  0.54991906  0.48976548  1
  C  C35  1  0.69548560  0.44978654  0.99089642  1
  C  C36  1  0.23898792  0.56259139  0.44371722  1
  C  C37  1  0.25941804  0.43601951  0.94341476  1
  C  C38  1  0.75913660  0.43538657  0.55680399  1
  C  C39  1  0.74041911  0.56460218  0.05771729  1
  C  C40  1  0.35074232  0.56590132  0.35794507  1
  C  C41  1  0.14828417  0.43359965  0.85746066  1
  C  C42  1  0.64806247  0.43307295  0.64275082  1
  C  C43  1  0.85257168  0.56750913  0.14313233  1
  C  C44  1  0.41616139  0.45515049  0.34342013  1
  C  C45  1  0.08353640  0.54472454  0.84282197  1
  C  C46  1  0.58355485  0.54437705  0.65721747  1
  C  C47  1  0.91738389  0.45638735  0.15745298  1
  C  C48  1  0.36364490  0.34185311  0.41307416  1
  C  C49  1  0.13664676  0.65787150  0.91260918  1
  C  C50  1  0.63656102  0.65756060  0.58760519  1
  C  C51  1  0.86373287  0.34283632  0.08817515  1
  C  C52  1  0.42478149  0.22252884  0.40295379  1
  C  C53  1  0.07633756  0.77761844  0.90318764  1
  C  C54  1  0.57530116  0.77650787  0.59725584  1
  C  C55  1  0.92497229  0.22395237  0.09778068  1
  C  C56  1  0.43525940  -0.00028935  0.45420570  1
  C  C57  1  0.06539888  1.00037543  0.95496345  1
  C  C58  1  0.56319042  0.99976438  0.54541083  1
  C  C59  1  0.93732988  0.00073562  0.04598847  1
  N  N60  1  0.25173176  0.33670921  0.49524834  1
  N  N61  1  0.24840632  0.66207852  0.99463292  1
  N  N62  1  0.75069058  0.66286922  0.50611629  1
  N  N63  1  0.74903729  0.33711197  0.00700117  1
  N  N64  1  0.35847934  0.11443706  0.46038397  1
  N  N65  1  0.14186533  0.88541719  0.96152899  1
  N  N66  1  0.64013559  0.88495266  0.53901572  1
  N  N67  1  0.86025870  0.11552822  0.03940694  1
  N  N68  1  0.03044309  0.91766452  0.57474577  1
  N  N69  1  0.47191627  0.08286121  0.07439413  1
  N  N70  1  0.97241743  0.08522297  0.42498959  1
  N  N71  1  0.52429467  0.91408898  0.92851424  1
  N  N72  1  0.09345532  0.83434095  0.61414864  1
  N  N73  1  0.40643756  0.16470635  0.11405825  1
  N  N74  1  0.91355415  0.17216937  0.38772224  1
  N  N75  1  0.58285264  0.82691037  0.89077854  1
  N  N76  1  0.15227223  0.74989762  0.64699994  1
  N  N77  1  0.34717017  0.24857974  0.14757058  1
  N  N78  1  0.84940387  0.25232105  0.35294194  1
  N  N79  1  0.64797893  0.74818538  0.85451275  1
  N  N80  1  0.97036494  0.20059752  0.64958616  1
  N  N81  1  0.52676505  0.80004353  0.14945055  1
  N  N82  1  0.03425834  0.80117435  0.34565404  1
  N  N83  1  0.46723820  0.19833462  0.84639850  1
  N  N84  1  0.87919318  0.15775251  0.72323380  1
  N  N85  1  0.62013561  0.84155083  0.22233561  1
  N  N86  1  0.12782194  0.83999052  0.27203282  1
  N  N87  1  0.37497753  0.16109713  0.77182600  1
  N  N88  1  0.78018631  0.11430957  0.79270718  1
  N  N89  1  0.72068101  0.88325250  0.29124803  1
  N  N90  1  0.22575964  0.88643457  0.20289401  1
  N  N91  1  0.27713867  0.11691771  0.70226085  1
