# generated using pymatgen
data_Mn2CrNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11689002
_cell_length_b   10.13593169
_cell_length_c   12.55357460
_cell_angle_alpha   90.02010560
_cell_angle_beta   90.01307833
_cell_angle_gamma   106.45263552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Ni1 H28 C28 N32'
_cell_volume   990.52134879
_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
  Cr  Cr0  1  0.14949036  0.12584223  0.55212669  1
  Mn  Mn1  1  0.34229787  0.86566543  0.05522613  1
  Ni  Ni2  1  0.83750119  0.86449200  0.44112664  1
  Mn  Mn3  1  0.65655064  0.13204868  0.94877147  1
  H  H4  1  0.11188054  0.44816242  0.58206996  1
  H  H5  1  0.38516923  0.55003436  0.08169313  1
  H  H6  1  0.88611686  0.55327074  0.41693767  1
  H  H7  1  0.61394024  0.44862891  0.91964320  1
  H  H8  1  0.18493663  0.64671686  0.46218640  1
  H  H9  1  0.31181093  0.35010537  0.96084045  1
  H  H10  1  0.81403845  0.35339922  0.53654483  1
  H  H11  1  0.68683312  0.64895385  0.03987596  1
  H  H12  1  0.38861663  0.65218687  0.30698162  1
  H  H13  1  0.11115039  0.34592103  0.80526997  1
  H  H14  1  0.61359442  0.34804490  0.69298648  1
  H  H15  1  0.89006436  0.65472231  0.19507290  1
  H  H16  1  0.49957278  0.44716631  0.28000168  1
  H  H17  1  1.00046841  0.55188224  0.77823562  1
  H  H18  1  0.50234001  0.55342437  0.72085791  1
  H  H19  1  0.00123897  0.44970458  0.22207027  1
  H  H20  1  0.52760544  0.22903363  0.34821909  1
  H  H21  1  0.97300057  0.76888979  0.84719738  1
  H  H22  1  0.47309597  0.76968929  0.65189022  1
  H  H23  1  0.02912088  0.23217868  0.15400371  1
  H  H24  1  0.49405615  -0.00032715  0.37604886  1
  H  H25  1  1.00603313  0.99965016  0.87858978  1
  H  H26  1  0.50703797  0.99992548  0.62128572  1
  H  H27  1  -0.00434735  0.00082932  0.12377802  1
  H  H28  1  0.33078473  0.89807757  0.46031577  1
  H  H29  1  0.17194393  0.09780743  0.96289518  1
  H  H30  1  0.67058465  0.09925391  0.53523540  1
  H  H31  1  0.82958852  0.90198387  0.03968041  1
  C  C32  1  0.19189866  0.44615496  0.51243941  1
  C  C33  1  0.30638372  0.55095939  0.01144529  1
  C  C34  1  0.80641734  0.55442405  0.48667823  1
  C  C35  1  0.69300780  0.44810554  0.98985128  1
  C  C36  1  0.23668455  0.56065145  0.44564461  1
  C  C37  1  0.26106308  0.43660692  0.94428492  1
  C  C38  1  0.76285959  0.43957595  0.55374663  1
  C  C39  1  0.73830046  0.56287931  0.05653962  1
  C  C40  1  0.34869427  0.56361308  0.35988728  1
  C  C41  1  0.15013129  0.43450455  0.85821202  1
  C  C42  1  0.65232565  0.43657659  0.64001329  1
  C  C43  1  0.85015582  0.56591429  0.14230739  1
  C  C44  1  0.41264701  0.45215173  0.34501297  1
  C  C45  1  0.08700647  0.54638524  0.84331905  1
  C  C46  1  0.58830742  0.54792900  0.65539511  1
  C  C47  1  0.91384636  0.45428319  0.15724377  1
  C  C48  1  0.35945702  0.33834651  0.41413841  1
  C  C49  1  0.14044667  0.65953555  0.91295992  1
  C  C50  1  0.64024198  0.66112859  0.58564566  1
  C  C51  1  0.86039748  0.34055617  0.08815750  1
  C  C52  1  0.42132511  0.21969976  0.40438507  1
  C  C53  1  0.07777246  0.77787306  0.90435317  1
  C  C54  1  0.57782732  0.77994676  0.59484657  1
  C  C55  1  0.92377333  0.22251882  0.09711602  1
  C  C56  1  0.43244249  -0.00456854  0.45448480  1
  C  C57  1  0.06757058  1.00210675  0.95695384  1
  C  C58  1  0.56769149  1.00292204  0.54253303  1
  C  C59  1  0.93400616  -0.00232289  0.04536802  1
  N  N60  1  0.24540346  0.33319138  0.49600584  1
  N  N61  1  0.25489067  0.66467931  0.99428959  1
  N  N62  1  0.75260217  0.66658039  0.50366912  1
  N  N63  1  0.74477376  0.33451310  0.00727842  1
  N  N64  1  0.35208825  0.10851346  0.45942451  1
  N  N65  1  0.14430436  0.88691333  0.96183184  1
  N  N66  1  0.64560509  0.88870376  0.53831097  1
  N  N67  1  0.85715137  0.11271241  0.04051709  1
  N  N68  1  0.03197651  0.92190640  0.58023652  1
  N  N69  1  0.46424702  0.08362965  0.07643551  1
  N  N70  1  0.98652637  0.09097633  0.42651371  1
  N  N71  1  0.53545229  0.91583506  0.92682771  1
  N  N72  1  0.09260746  0.83513244  0.61651885  1
  N  N73  1  0.40288211  0.16755455  0.11679349  1
  N  N74  1  0.91511028  0.16892694  0.38655336  1
  N  N75  1  0.59614731  0.83239331  0.88509011  1
  N  N76  1  0.15435324  0.75145449  0.64658729  1
  N  N77  1  0.34197625  0.25013336  0.15049724  1
  N  N78  1  0.84089280  0.24221960  0.35217514  1
  N  N79  1  0.65753635  0.75092700  0.84986511  1
  N  N80  1  0.96218262  0.18855943  0.64339287  1
  N  N81  1  0.53457411  0.80552082  0.15498990  1
  N  N82  1  0.03320175  0.80471701  0.35389578  1
  N  N83  1  0.45506015  0.18995122  0.84414650  1
  N  N84  1  0.87997147  0.15516413  0.72262149  1
  N  N85  1  0.62190408  0.84032587  0.23192049  1
  N  N86  1  0.11708249  0.84308801  0.27642135  1
  N  N87  1  0.37323069  0.16117687  0.76532395  1
  N  N88  1  0.79277555  0.12606646  0.79847446  1
  N  N89  1  0.71498621  0.87157210  0.30511794  1
  N  N90  1  0.20755402  0.87885858  0.20195198  1
  N  N91  1  0.29215854  0.14229699  0.68571321  1
