# generated using pymatgen
data_Mn2CrNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11696241
_cell_length_b   10.13578665
_cell_length_c   12.55379190
_cell_angle_alpha   90.04781098
_cell_angle_beta   89.96406379
_cell_angle_gamma   106.45189047
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Ni1 H28 C28 N32'
_cell_volume   990.53665116
_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  0.15662296  0.13197879  0.55117728  1
  Ni  Ni1  1  0.33773843  0.86482311  0.05890836  1
  Mn  Mn2  1  0.84211282  0.86555734  0.44483505  1
  Cr  Cr3  1  0.64979427  0.12574459  0.94747238  1
  H  H4  1  0.11389978  0.44843800  0.58073209  1
  H  H5  1  0.38602205  0.55279423  0.08253547  1
  H  H6  1  0.88516990  0.55010766  0.41801102  1
  H  H7  1  0.61211042  0.44855138  0.91847373  1
  H  H8  1  0.18630304  0.64864480  0.46055265  1
  H  H9  1  0.31367050  0.35313806  0.96298113  1
  H  H10  1  0.81203191  0.35029144  0.53875526  1
  H  H11  1  0.68549801  0.64711794  0.03840827  1
  H  H12  1  0.38836227  0.65400851  0.30473441  1
  H  H13  1  0.11281161  0.34757094  0.80666890  1
  H  H14  1  0.61193398  0.34632445  0.69464683  1
  H  H15  1  0.89012716  0.65287809  0.19314915  1
  H  H16  1  0.50063401  0.44946532  0.27791610  1
  H  H17  1  1.00173748  0.55308527  0.77901260  1
  H  H18  1  0.50071848  0.55206657  0.72167612  1
  H  H19  1  0.00047115  0.44759903  0.22004160  1
  H  H20  1  0.52915806  0.23211317  0.34594274  1
  H  H21  1  0.97345647  0.76970143  0.84759464  1
  H  H22  1  0.47273462  0.76886748  0.65267081  1
  H  H23  1  0.02748785  0.22909527  0.15201530  1
  H  H24  1  0.49649690  0.00120836  0.37617243  1
  H  H25  1  1.00676254  0.99946184  0.87856104  1
  H  H26  1  0.50538382  0.99939227  0.62135333  1
  H  H27  1  -0.00574280  0.00001112  0.12380724  1
  H  H28  1  0.33008500  0.90190688  0.45979118  1
  H  H29  1  0.17051935  0.09910689  0.96445908  1
  H  H30  1  0.67172803  0.09788944  0.53751515  1
  H  H31  1  0.83070501  0.89838221  0.03972400  1
  C  C32  1  0.19290363  0.44790180  0.51047271  1
  C  C33  1  0.30622513  0.55420313  0.01289660  1
  C  C34  1  0.80638327  0.55105863  0.48827273  1
  C  C35  1  0.69226461  0.44651195  0.98800737  1
  C  C36  1  0.23775944  0.56255571  0.44374264  1
  C  C37  1  0.26245615  0.43929989  0.94587242  1
  C  C38  1  0.76129113  0.43679509  0.55542006  1
  C  C39  1  0.73735034  0.56110101  0.05479125  1
  C  C40  1  0.34919735  0.56545951  0.35774480  1
  C  C41  1  0.15174074  0.43617739  0.85965372  1
  C  C42  1  0.65051977  0.43474656  0.64159287  1
  C  C43  1  0.84971217  0.56415463  0.14034498  1
  C  C44  1  0.41331710  0.45402474  0.34282293  1
  C  C45  1  0.08783423  0.54757245  0.84436005  1
  C  C46  1  0.58719996  0.54653083  0.65654367  1
  C  C47  1  0.91344652  0.45258839  0.15511982  1
  C  C48  1  0.36032291  0.34040660  0.41195560  1
  C  C49  1  0.14001702  0.66090674  0.91410466  1
  C  C50  1  0.64038902  0.65959727  0.58690146  1
  C  C51  1  0.85984143  0.33866895  0.08601929  1
  C  C52  1  0.42383342  0.22244781  0.40287550  1
  C  C53  1  0.07779775  0.77981955  0.90489538  1
  C  C54  1  0.57759421  0.77786681  0.59557326  1
  C  C55  1  0.92145703  0.21989565  0.09570596  1
  C  C56  1  0.43432302  -0.00225581  0.45446018  1
  C  C57  1  0.06755801  1.00277981  0.95729415  1
  C  C58  1  0.56740535  1.00209385  0.54310089  1
  C  C59  1  0.93250327  -0.00434262  0.04543358  1
  N  N60  1  0.24482755  0.33436164  0.49295247  1
  N  N61  1  0.25235212  0.66633786  0.99604132  1
  N  N62  1  0.75477319  0.66474082  0.50550834  1
  N  N63  1  0.74569840  0.33352747  0.00425759  1
  N  N64  1  0.35716479  0.11263012  0.45939268  1
  N  N65  1  0.14545259  0.88853229  0.96159157  1
  N  N66  1  0.64417766  0.88688538  0.53814797  1
  N  N67  1  0.85231211  0.10878966  0.04048571  1
  N  N68  1  0.03468161  0.91593801  0.57347137  1
  N  N69  1  0.48674099  0.09128324  0.07351645  1
  N  N70  1  0.96456910  0.08351889  0.42368176  1
  N  N71  1  0.53177795  0.92156168  0.92067909  1
  N  N72  1  0.09546566  0.83252944  0.61509087  1
  N  N73  1  0.41531299  0.16925957  0.11353408  1
  N  N74  1  0.90319992  0.16736401  0.38329045  1
  N  N75  1  0.59225003  0.83482861  0.88399201  1
  N  N76  1  0.15715376  0.75116940  0.65009910  1
  N  N77  1  0.34124177  0.24284455  0.14769150  1
  N  N78  1  0.84214268  0.24977316  0.34953809  1
  N  N79  1  0.65396607  0.75127039  0.85357031  1
  N  N80  1  0.95480246  0.19004633  0.65618067  1
  N  N81  1  0.53220895  0.80373624  0.14679579  1
  N  N82  1  0.03563468  0.80595707  0.34543620  1
  N  N83  1  0.46288946  0.18877704  0.85674622  1
  N  N84  1  0.87227197  0.16038950  0.73455634  1
  N  N85  1  0.61759746  0.84296222  0.22354215  1
  N  N86  1  0.12204215  0.84031338  0.26807353  1
  N  N87  1  0.38045092  0.15547446  0.77754033  1
  N  N88  1  0.79141441  0.14143945  0.81431438  1
  N  N89  1  0.70895339  0.87933732  0.29755948  1
  N  N90  1  0.21436582  0.87205433  0.19459954  1
  N  N91  1  0.29292529  0.12649453  0.70186158  1
