# generated using pymatgen
data_Mn3NiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11913906
_cell_length_b   10.13493906
_cell_length_c   12.56175835
_cell_angle_alpha   90.03801830
_cell_angle_beta   89.98380017
_cell_angle_gamma   106.43429087
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3NiH28(C7N8)4
_chemical_formula_sum   'Mn3 Ni1 H28 C28 N32'
_cell_volume   991.43819592
_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  0.16002803  0.13432759  0.55325594  1
  Ni  Ni1  1  0.33879536  0.86515600  0.05554358  1
  Mn  Mn2  1  0.84034272  0.86551301  0.44361036  1
  Mn  Mn3  1  0.65712265  0.13074312  0.94792286  1
  H  H4  1  0.11396839  0.44919011  0.57859088  1
  H  H5  1  0.38543955  0.54981954  0.07944001  1
  H  H6  1  0.88410735  0.54966104  0.42029503  1
  H  H7  1  0.61391142  0.44954580  0.92201658  1
  H  H8  1  0.18731822  0.64984504  0.45903005  1
  H  H9  1  0.31143769  0.35071364  0.96079866  1
  H  H10  1  0.81112865  0.34957593  0.53993341  1
  H  H11  1  0.68787092  0.65030893  0.04119628  1
  H  H12  1  0.38847038  0.65457167  0.30271314  1
  H  H13  1  0.11113850  0.34660015  0.80359033  1
  H  H14  1  0.61160764  0.34602457  0.69722178  1
  H  H15  1  0.89133562  0.65574722  0.19671751  1
  H  H16  1  0.50438249  0.45154705  0.27777394  1
  H  H17  1  0.99678913  0.55055973  0.77844021  1
  H  H18  1  0.49678633  0.54957097  0.72239261  1
  H  H19  1  0.00570993  0.45211812  0.22191952  1
  H  H20  1  0.52720323  0.23157535  0.34269727  1
  H  H21  1  0.97418957  0.76885349  0.84397777  1
  H  H22  1  0.47344976  0.76887175  0.65653522  1
  H  H23  1  0.02743021  0.23236885  0.15714253  1
  H  H24  1  0.50374299  0.00696454  0.37672461  1
  H  H25  1  0.99858661  0.99297278  0.87812140  1
  H  H26  1  0.49670407  0.99323760  0.62191673  1
  H  H27  1  0.00388194  0.00678950  0.12329794  1
  H  H28  1  0.33298426  0.90446038  0.45469031  1
  H  H29  1  0.16874589  0.09648631  0.95713605  1
  H  H30  1  0.66745383  0.09550199  0.54368074  1
  H  H31  1  0.83358746  0.90450039  0.04451489  1
  C  C32  1  0.19556413  0.44947112  0.50953974  1
  C  C33  1  0.30348056  0.55149152  0.01088125  1
  C  C34  1  0.80314983  0.54981834  0.48958320  1
  C  C35  1  0.69554087  0.44975037  0.99103232  1
  C  C36  1  0.24001522  0.56418221  0.44276499  1
  C  C37  1  0.25947641  0.43662525  0.94391782  1
  C  C38  1  0.75890638  0.43536281  0.55666958  1
  C  C39  1  0.74049992  0.56470368  0.05768514  1
  C  C40  1  0.35173376  0.56715597  0.35696467  1
  C  C41  1  0.14833389  0.43388064  0.85794469  1
  C  C42  1  0.64811354  0.43322304  0.64282859  1
  C  C43  1  0.85287501  0.56774916  0.14307932  1
  C  C44  1  0.41709417  0.45629220  0.34261485  1
  C  C45  1  0.08350817  0.54493614  0.84341294  1
  C  C46  1  0.58329502  0.54436844  0.65720219  1
  C  C47  1  0.91783227  0.45671106  0.15738713  1
  C  C48  1  0.36423624  0.34276568  0.41182673  1
  C  C49  1  0.13607955  0.65812606  0.91324000  1
  C  C50  1  0.63597577  0.65745192  0.58753015  1
  C  C51  1  0.86420863  0.34300372  0.08823588  1
  C  C52  1  0.42559965  0.22402813  0.40184942  1
  C  C53  1  0.07545497  0.77764614  0.90320199  1
  C  C54  1  0.57490531  0.77640103  0.59729600  1
  C  C55  1  0.92568894  0.22425043  0.09799127  1
  C  C56  1  0.43682585  0.00065746  0.45358954  1
  C  C57  1  0.06514147  1.00027480  0.95516299  1
  C  C58  1  0.56349261  0.99938331  0.54502569  1
  C  C59  1  0.93748238  0.00066248  0.04633589  1
  N  N60  1  0.24971610  0.33689886  0.49317216  1
  N  N61  1  0.24744485  0.66288150  0.99558728  1
  N  N62  1  0.74967116  0.66265053  0.50581496  1
  N  N63  1  0.74917896  0.33705212  0.00729522  1
  N  N64  1  0.36010544  0.11569860  0.46027558  1
  N  N65  1  0.14160381  0.88547005  0.96105987  1
  N  N66  1  0.64016803  0.88433078  0.53848779  1
  N  N67  1  0.86061469  0.11543722  0.04007032  1
  N  N68  1  0.03098428  0.91463417  0.57296466  1
  N  N69  1  0.46948012  0.08239426  0.07579075  1
  N  N70  1  0.96934233  0.08568424  0.42598803  1
  N  N71  1  0.52794958  0.91465720  0.92628286  1
  N  N72  1  0.09007887  0.82961198  0.61371641  1
  N  N73  1  0.40612226  0.16577581  0.11491631  1
  N  N74  1  0.90977890  0.17050072  0.38542004  1
  N  N75  1  0.58623141  0.82748370  0.88867075  1
  N  N76  1  0.15118176  0.74748407  0.64792865  1
  N  N77  1  0.34737577  0.25036754  0.14755529  1
  N  N78  1  0.84813974  0.25236127  0.35125146  1
  N  N79  1  0.65001238  0.74715375  0.85372661  1
  N  N80  1  0.97057587  0.19991986  0.65031875  1
  N  N81  1  0.52839536  0.79812788  0.14985805  1
  N  N82  1  0.03265638  0.80039161  0.34637104  1
  N  N83  1  0.47050028  0.19924370  0.85008431  1
  N  N84  1  0.87617547  0.15939652  0.72324141  1
  N  N85  1  0.62095480  0.84112800  0.22280705  1
  N  N86  1  0.12587454  0.83862766  0.27232258  1
  N  N87  1  0.37655125  0.15970704  0.77690726  1
  N  N88  1  0.77822761  0.11488552  0.79272645  1
  N  N89  1  0.72163114  0.88478867  0.29147974  1
  N  N90  1  0.22413509  0.88469114  0.20334125  1
  N  N91  1  0.27898745  0.11648504  0.70694779  1
