# generated using pymatgen
data_Mn2CrNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11782701
_cell_length_b   10.13523782
_cell_length_c   12.55690856
_cell_angle_alpha   90.03347385
_cell_angle_beta   89.98395905
_cell_angle_gamma   106.44638331
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Ni1 H28 C28 N32'
_cell_volume   990.86281706
_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  0.15324260  0.12678853  0.54740810  1
  Mn  Mn1  1  0.33951850  0.86686723  0.05440366  1
  Mn  Mn2  1  0.84258425  0.86760970  0.44885736  1
  Cr  Cr3  1  0.65215101  0.12773197  0.94382990  1
  H  H4  1  0.11239190  0.44722971  0.58079780  1
  H  H5  1  0.38378370  0.54977724  0.08045599  1
  H  H6  1  0.88472450  0.55066584  0.41901763  1
  H  H7  1  0.61267529  0.45037958  0.91900789  1
  H  H8  1  0.18552205  0.64671911  0.46185331  1
  H  H9  1  0.31157851  0.34962751  0.95994803  1
  H  H10  1  0.81153467  0.35019464  0.53910460  1
  H  H11  1  0.68567351  0.64818552  0.03990547  1
  H  H12  1  0.38675140  0.65238805  0.30557807  1
  H  H13  1  0.11156501  0.34524844  0.80361012  1
  H  H14  1  0.61030200  0.34527193  0.69463738  1
  H  H15  1  0.88842436  0.65244320  0.19522562  1
  H  H16  1  0.50100965  0.44826680  0.27942373  1
  H  H17  1  0.99841712  0.54991921  0.77747813  1
  H  H18  1  0.49771286  0.55020207  0.72135298  1
  H  H19  1  0.00044100  0.44777107  0.22075522  1
  H  H20  1  0.52873358  0.23184190  0.34712738  1
  H  H21  1  0.97388183  0.76817642  0.84416886  1
  H  H22  1  0.47097467  0.76784186  0.65335755  1
  H  H23  1  0.02474746  0.22877124  0.15348760  1
  H  H24  1  0.49823947  0.00285932  0.37742446  1
  H  H25  1  1.00103364  0.99743554  0.87719870  1
  H  H26  1  0.50113316  0.99817494  0.62225014  1
  H  H27  1  -0.00217134  0.00264110  0.12231519  1
  H  H28  1  0.33022872  0.90144893  0.45993514  1
  H  H29  1  0.16822801  0.09719811  0.95950576  1
  H  H30  1  0.66920299  0.09816103  0.54037216  1
  H  H31  1  0.83083806  0.89994980  0.04077855  1
  C  C32  1  0.19288763  0.44556044  0.51148729  1
  C  C33  1  0.30496919  0.55039441  0.01020966  1
  C  C34  1  0.80600663  0.55130205  0.48932427  1
  C  C35  1  0.69396570  0.44852966  0.98799519  1
  C  C36  1  0.23752046  0.56084145  0.44508535  1
  C  C37  1  0.26051715  0.43592247  0.94315002  1
  C  C38  1  0.76073475  0.43664850  0.55598638  1
  C  C39  1  0.73828057  0.56241006  0.05553807  1
  C  C40  1  0.34889502  0.56428977  0.35906771  1
  C  C41  1  0.14977751  0.43354123  0.85694987  1
  C  C42  1  0.64945487  0.43402898  0.64195793  1
  C  C43  1  0.84993247  0.56471530  0.14136396  1
  C  C44  1  0.41386903  0.45336275  0.34429627  1
  C  C45  1  0.08602928  0.54513189  0.84209945  1
  C  C46  1  0.58551044  0.54549551  0.65679745  1
  C  C47  1  0.91399579  0.45317488  0.15561526  1
  C  C48  1  0.36095696  0.33969045  0.41366020  1
  C  C49  1  0.13936103  0.65855472  0.91154260  1
  C  C50  1  0.63929573  0.65922851  0.58776196  1
  C  C51  1  0.86111981  0.34006541  0.08564969  1
  C  C52  1  0.42387639  0.22124355  0.40408524  1
  C  C53  1  0.07698927  0.77699230  0.90242935  1
  C  C54  1  0.57620265  0.77733100  0.59647914  1
  C  C55  1  0.92158591  0.22077320  0.09537085  1
  C  C56  1  0.43379359  -0.00252462  0.45508891  1
  C  C57  1  0.06461053  1.00089659  0.95496351  1
  C  C58  1  0.56528445  1.00198143  0.54469075  1
  C  C59  1  0.93334302  -0.00296577  0.04463177  1
  N  N60  1  0.24656423  0.33319575  0.49476895  1
  N  N61  1  0.25359547  0.66396108  0.99282697  1
  N  N62  1  0.75498227  0.66518198  0.50712122  1
  N  N63  1  0.74882928  0.33597457  0.00303789  1
  N  N64  1  0.35517634  0.11132065  0.45914411  1
  N  N65  1  0.14210162  0.88633594  0.95990728  1
  N  N66  1  0.64304887  0.88723808  0.53993674  1
  N  N67  1  0.85370922  0.11057725  0.03891045  1
  N  N68  1  0.03362231  0.92317403  0.57777318  1
  N  N69  1  0.48325180  0.09186250  0.06912569  1
  N  N70  1  0.96916919  0.08272381  0.42263958  1
  N  N71  1  0.53471958  0.92136893  0.92241123  1
  N  N72  1  0.09842079  0.83977630  0.61562878  1
  N  N73  1  0.41863384  0.17329747  0.11101444  1
  N  N74  1  0.91029268  0.17031219  0.38623539  1
  N  N75  1  0.59684597  0.83679838  0.88308008  1
  N  N76  1  0.15684305  0.75454587  0.64716708  1
  N  N77  1  0.34888951  0.24819614  0.14781854  1
  N  N78  1  0.84678602  0.25171542  0.35316877  1
  N  N79  1  0.65505752  0.75219292  0.85089127  1
  N  N80  1  0.95409815  0.19588169  0.65404589  1
  N  N81  1  0.53088881  0.80222896  0.14966326  1
  N  N82  1  0.03178971  0.80325167  0.35157907  1
  N  N83  1  0.47073114  0.19280227  0.85269336  1
  N  N84  1  0.87269612  0.16010671  0.73182425  1
  N  N85  1  0.62131123  0.84092416  0.22467154  1
  N  N86  1  0.12101507  0.84250005  0.27629307  1
  N  N87  1  0.38080172  0.15467245  0.77655222  1
  N  N88  1  0.79174454  0.13554163  0.81160978  1
  N  N89  1  0.71794404  0.88251861  0.29528961  1
  N  N90  1  0.21604336  0.88380043  0.20480416  1
  N  N91  1  0.28656362  0.12163471  0.70452833  1
