# generated using pymatgen
data_Mn2CoNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11804235
_cell_length_b   10.13372542
_cell_length_c   12.55948526
_cell_angle_alpha   90.02630948
_cell_angle_beta   89.99572069
_cell_angle_gamma   106.43351275
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CoNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Co1 Ni1 H28 C28 N32'
_cell_volume   991.01029699
_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  0.16008344  0.13350665  0.55345351  1
  Mn  Mn1  1  0.34043764  0.86586509  0.05650481  1
  Co  Co2  1  0.84599748  0.87114609  0.44635323  1
  Mn  Mn3  1  0.65972877  0.13426635  0.94385105  1
  H  H4  1  0.11230262  0.44889148  0.57874005  1
  H  H5  1  0.38404100  0.54914841  0.07912618  1
  H  H6  1  0.88536773  0.54942030  0.42019037  1
  H  H7  1  0.61392433  0.44975517  0.92194062  1
  H  H8  1  0.18629710  0.64828758  0.46069155  1
  H  H9  1  0.31083546  0.34917300  0.95937641  1
  H  H10  1  0.81182843  0.35053245  0.53890680  1
  H  H11  1  0.68770461  0.65028873  0.04134298  1
  H  H12  1  0.38865667  0.65362115  0.30407593  1
  H  H13  1  0.11070686  0.34530657  0.80236259  1
  H  H14  1  0.61068458  0.34635872  0.69598835  1
  H  H15  1  0.88981283  0.65525467  0.19734631  1
  H  H16  1  0.50385063  0.45006953  0.27880933  1
  H  H17  1  0.99602799  0.54906666  0.77737091  1
  H  H18  1  0.49655664  0.55044923  0.72151225  1
  H  H19  1  0.00523912  0.45190416  0.22230236  1
  H  H20  1  0.52698416  0.23193074  0.34405370  1
  H  H21  1  0.97465818  0.76905164  0.84233360  1
  H  H22  1  0.47416399  0.76903263  0.65530558  1
  H  H23  1  0.02632928  0.23156993  0.15758004  1
  H  H24  1  0.50256781  0.00751483  0.37704855  1
  H  H25  1  0.99715124  0.99341169  0.87756572  1
  H  H26  1  0.49801882  0.99282003  0.62214205  1
  H  H27  1  0.00352443  0.00727519  0.12292108  1
  H  H28  1  0.33290057  0.90338662  0.45620521  1
  H  H29  1  0.16804877  0.09551831  0.95582714  1
  H  H30  1  0.66776540  0.09677332  0.54316720  1
  H  H31  1  0.83284645  0.90486997  0.04467148  1
  C  C32  1  0.19482986  0.44760149  0.51037755  1
  C  C33  1  0.30292573  0.54946802  0.00991335  1
  C  C34  1  0.80432871  0.55119655  0.48922462  1
  C  C35  1  0.69584715  0.44998673  0.99083972  1
  C  C36  1  0.23882910  0.56263912  0.44369765  1
  C  C37  1  0.25848837  0.43491756  0.94280688  1
  C  C38  1  0.76004266  0.43647866  0.55609219  1
  C  C39  1  0.74061047  0.56478199  0.05769098  1
  C  C40  1  0.35087605  0.56596025  0.35809078  1
  C  C41  1  0.14748092  0.43267548  0.85674436  1
  C  C42  1  0.64869287  0.43401316  0.64201288  1
  C  C43  1  0.85263419  0.56759264  0.14330794  1
  C  C44  1  0.41626785  0.45520950  0.34348982  1
  C  C45  1  0.08286713  0.54394166  0.84239264  1
  C  C46  1  0.58377582  0.54500188  0.65673278  1
  C  C47  1  0.91772152  0.45657238  0.15755828  1
  C  C48  1  0.36360927  0.34172901  0.41300404  1
  C  C49  1  0.13583812  0.65718938  0.91207868  1
  C  C50  1  0.63688845  0.65819174  0.58700415  1
  C  C51  1  0.86436188  0.34305106  0.08817892  1
  C  C52  1  0.42499258  0.22253231  0.40293014  1
  C  C53  1  0.07523004  0.77639062  0.90216216  1
  C  C54  1  0.57596410  0.77764664  0.59639201  1
  C  C55  1  0.92535461  0.22405041  0.09798554  1
  C  C56  1  0.43604556  -0.00010657  0.45412008  1
  C  C57  1  0.06377907  0.99950816  0.95452246  1
  C  C58  1  0.56444769  1.00024226  0.54504044  1
  C  C59  1  0.93689025  0.00100909  0.04592859  1
  N  N60  1  0.25144474  0.33642063  0.49501865  1
  N  N61  1  0.24940167  0.66229670  0.99384044  1
  N  N62  1  0.74934757  0.66290580  0.50534701  1
  N  N63  1  0.75006041  0.33745130  0.00675285  1
  N  N64  1  0.35876013  0.11425721  0.46018239  1
  N  N65  1  0.13996678  0.88423695  0.96119718  1
  N  N66  1  0.64184267  0.88588426  0.53868853  1
  N  N67  1  0.86030325  0.11608012  0.03909808  1
  N  N68  1  0.02539317  0.91848723  0.57319340  1
  N  N69  1  0.46951187  0.08599529  0.07355435  1
  N  N70  1  0.97281453  0.08087937  0.42487873  1
  N  N71  1  0.53060678  0.91379899  0.92728918  1
  N  N72  1  0.08603967  0.83201947  0.60961304  1
  N  N73  1  0.41002562  0.17091935  0.11411090  1
  N  N74  1  0.90923662  0.16498050  0.38763751  1
  N  N75  1  0.58995923  0.82888666  0.88659626  1
  N  N76  1  0.14879433  0.75106463  0.64501152  1
  N  N77  1  0.34826172  0.25274964  0.14833912  1
  N  N78  1  0.84940441  0.24870559  0.35402096  1
  N  N79  1  0.65136130  0.74690004  0.85224531  1
  N  N80  1  0.96978844  0.20026154  0.64925170  1
  N  N81  1  0.53137381  0.79901864  0.15509655  1
  N  N82  1  0.02850180  0.80068325  0.35172912  1
  N  N83  1  0.46873753  0.19990765  0.84615101  1
  N  N84  1  0.87897166  0.15797239  0.72309681  1
  N  N85  1  0.62702511  0.83895836  0.22782437  1
  N  N86  1  0.12053450  0.84135763  0.27818883  1
  N  N87  1  0.37502284  0.16113859  0.77230779  1
  N  N88  1  0.78005770  0.11471252  0.79272421  1
  N  N89  1  0.72718756  0.88640600  0.29545567  1
  N  N90  1  0.21940244  0.88441233  0.20860651  1
  N  N91  1  0.27620408  0.11532951  0.70357829  1
