# generated using pymatgen
data_Mn2CrNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11793546
_cell_length_b   10.13526150
_cell_length_c   12.55726006
_cell_angle_alpha   90.03469790
_cell_angle_beta   89.99090040
_cell_angle_gamma   106.44496640
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Ni1 H28 C28 N32'
_cell_volume   990.91333429
_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  0.16068027  0.13295442  0.55406151  1
  Ni  Ni1  1  0.34652371  0.87260863  0.04937822  1
  Cr  Cr2  1  0.84790741  0.87192971  0.44324910  1
  Mn  Mn3  1  0.65726523  0.13172746  0.94892155  1
  H  H4  1  0.11434879  0.44918156  0.57984334  1
  H  H5  1  0.38553327  0.55125058  0.08114184  1
  H  H6  1  0.88565577  0.54889890  0.41780560  1
  H  H7  1  0.61371501  0.44889460  0.92056510  1
  H  H8  1  0.18649048  0.64952909  0.45957665  1
  H  H9  1  0.31220564  0.35204962  0.96188340  1
  H  H10  1  0.81302522  0.35140557  0.53882904  1
  H  H11  1  0.68751643  0.64977356  0.04043679  1
  H  H12  1  0.38771039  0.65473081  0.30374152  1
  H  H13  1  0.11211477  0.34726507  0.80512071  1
  H  H14  1  0.61294234  0.34842725  0.69537495  1
  H  H15  1  0.89087062  0.65570140  0.19500633  1
  H  H16  1  0.50228551  0.45073350  0.27776328  1
  H  H17  1  0.99909158  0.55207013  0.77901225  1
  H  H18  1  0.50075017  0.55297946  0.72097473  1
  H  H19  1  0.00423834  0.45111538  0.22117921  1
  H  H20  1  0.52702521  0.23241082  0.34415249  1
  H  H21  1  0.97239830  0.76870296  0.84666956  1
  H  H22  1  0.47573021  0.77185920  0.65326192  1
  H  H23  1  0.02922525  0.23292996  0.15408833  1
  H  H24  1  0.50027009  0.00360101  0.37650274  1
  H  H25  1  1.00218576  0.99727427  0.87811088  1
  H  H26  1  0.50187184  0.99726747  0.62158938  1
  H  H27  1  -0.00020143  0.00272890  0.12314045  1
  H  H28  1  0.33282556  0.90294508  0.45807641  1
  H  H29  1  0.17064643  0.09835038  0.96052422  1
  H  H30  1  0.66950040  0.10009914  0.54063549  1
  H  H31  1  0.83156932  0.90240909  0.04140852  1
  C  C32  1  0.19386351  0.44904149  0.50981973  1
  C  C33  1  0.30539273  0.55327375  0.01173112  1
  C  C34  1  0.80508703  0.55108368  0.48711458  1
  C  C35  1  0.69341086  0.44871939  0.99045851  1
  C  C36  1  0.23819821  0.56354201  0.44287450  1
  C  C37  1  0.26084217  0.43819459  0.94501131  1
  C  C38  1  0.76111757  0.43747378  0.55482100  1
  C  C39  1  0.73905204  0.56364317  0.05695778  1
  C  C40  1  0.34969101  0.56639470  0.35698181  1
  C  C41  1  0.15009326  0.43527596  0.85876945  1
  C  C42  1  0.65056144  0.43574573  0.64116004  1
  C  C43  1  0.85142237  0.56682704  0.14240872  1
  C  C44  1  0.41426050  0.45518797  0.34225376  1
  C  C45  1  0.08578144  0.54653033  0.84402782  1
  C  C46  1  0.58663243  0.54733036  0.65555081  1
  C  C47  1  0.91568798  0.45550351  0.15700278  1
  C  C48  1  0.36085935  0.34161397  0.41145729  1
  C  C49  1  0.13867977  0.65996835  0.91375293  1
  C  C50  1  0.63893201  0.66011138  0.58532020  1
  C  C51  1  0.86124319  0.34144545  0.08824203  1
  C  C52  1  0.42355610  0.22334262  0.40223903  1
  C  C53  1  0.07640669  0.77876355  0.90417760  1
  C  C54  1  0.57870421  0.77950175  0.59504342  1
  C  C55  1  0.92415979  0.22326186  0.09707676  1
  C  C56  1  0.43623070  -0.00055013  0.45416427  1
  C  C57  1  0.06664910  1.00244998  0.95578964  1
  C  C58  1  0.56680586  1.00307907  0.54403588  1
  C  C59  1  0.93555903  -0.00137712  0.04556084  1
  N  N60  1  0.24607166  0.33583107  0.49253018  1
  N  N61  1  0.25209287  0.66580143  0.99526890  1
  N  N62  1  0.75073702  0.66385891  0.50243108  1
  N  N63  1  0.74517272  0.33518780  0.00782210  1
  N  N64  1  0.35837414  0.11384548  0.45945471  1
  N  N65  1  0.14464671  0.88816360  0.95996153  1
  N  N66  1  0.64628071  0.88934341  0.53812511  1
  N  N67  1  0.85765192  0.11324575  0.04060001  1
  N  N68  1  0.01690869  0.90834643  0.56893224  1
  N  N69  1  0.46691863  0.07771277  0.07809752  1
  N  N70  1  0.96583209  0.07852397  0.42209447  1
  N  N71  1  0.53057660  0.91647968  0.92397900  1
  N  N72  1  0.08131420  0.82677156  0.61071330  1
  N  N73  1  0.40167803  0.16096547  0.11578569  1
  N  N74  1  0.90359293  0.16293894  0.38274310  1
  N  N75  1  0.58899102  0.82880376  0.88726240  1
  N  N76  1  0.15057328  0.75159982  0.64750637  1
  N  N77  1  0.34315054  0.24612093  0.14746419  1
  N  N78  1  0.84495451  0.24729430  0.35059773  1
  N  N79  1  0.65231591  0.74761665  0.85346594  1
  N  N80  1  0.96845116  0.19701989  0.64932107  1
  N  N81  1  0.54349846  0.80277869  0.15410502  1
  N  N82  1  0.03078611  0.80698552  0.35225479  1
  N  N83  1  0.46900751  0.19690043  0.85113815  1
  N  N84  1  0.87875422  0.15832494  0.72461435  1
  N  N85  1  0.62696232  0.83968252  0.23106590  1
  N  N86  1  0.12022329  0.84462367  0.27585038  1
  N  N87  1  0.37946988  0.15791941  0.77593896  1
  N  N88  1  0.78313361  0.11653727  0.79569841  1
  N  N89  1  0.70992773  0.86527157  0.31002337  1
  N  N90  1  0.21549914  0.87957145  0.20455456  1
  N  N91  1  0.28366120  0.11676598  0.70478314  1
