# generated using pymatgen
data_CrCoH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85976362
_cell_length_b   11.62366894
_cell_length_c   12.28915187
_cell_angle_alpha   118.37307811
_cell_angle_beta   100.16520595
_cell_angle_gamma   89.91310756
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoH28C32(NO3)4
_chemical_formula_sum   'Cr1 Co1 H28 C32 N4 O12'
_cell_volume   967.94477899
_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
  Co  Co0  1  0.99999779  0.99999855  0.49999796  1
  Cr  Cr1  1  0.50000165  0.50000089  0.50000146  1
  H  H2  1  0.83965727  0.90470753  0.62044692  1
  H  H3  1  0.66531310  0.29108429  0.38557852  1
  H  H4  1  0.16034179  0.09529134  0.37955154  1
  H  H5  1  0.33469023  0.70891738  0.61442339  1
  H  H6  1  0.02535350  0.84715964  0.61631994  1
  H  H7  1  0.47579427  0.23666706  0.38951952  1
  H  H8  1  0.97464638  0.15283992  0.38367884  1
  H  H9  1  0.52420886  0.76333382  0.61048179  1
  H  H10  1  0.76858469  0.94357240  0.25833892  1
  H  H11  1  0.73127911  0.68871578  0.74562381  1
  H  H12  1  0.23141378  0.05642697  0.74165891  1
  H  H13  1  0.26872262  0.31128619  0.25438246  1
  H  H14  1  0.57919129  0.75587019  0.07940396  1
  H  H15  1  0.91868515  0.67879913  0.92395034  1
  H  H16  1  0.42080897  0.24412943  0.92059194  1
  H  H17  1  0.08131258  0.32120025  0.07605621  1
  H  H18  1  0.79572574  0.51249722  0.24001151  1
  H  H19  1  0.70803546  0.27206111  0.75782437  1
  H  H20  1  0.20426768  0.48750125  0.75998488  1
  H  H21  1  0.29196535  0.72793692  0.24217509  1
  H  H22  1  0.98618473  0.70846225  0.40580115  1
  H  H23  1  0.51574099  0.30173878  0.59423272  1
  H  H24  1  0.01380882  0.29153606  0.59419690  1
  H  H25  1  0.48426206  0.69826173  0.40576669  1
  H  H26  1  0.57303021  0.41205959  0.05558315  1
  H  H27  1  0.92919267  0.35531716  0.94192185  1
  H  H28  1  0.42696618  0.58793983  0.94441268  1
  H  H29  1  0.07080562  0.64468067  0.05808025  1
  C  C30  1  0.77032234  0.84617217  0.25014422  1
  C  C31  1  0.72930163  0.59893321  0.75294475  1
  C  C32  1  0.22967519  0.15382702  0.74985315  1
  C  C33  1  0.27070035  0.40106767  0.24705974  1
  C  C34  1  0.66380987  0.74074809  0.15111924  1
  C  C35  1  0.83525985  0.59158675  0.85116025  1
  C  C36  1  0.33618824  0.25925133  0.84887735  1
  C  C37  1  0.16473965  0.40841277  0.14884434  1
  C  C38  1  0.66779962  0.61657816  0.14586725  1
  C  C39  1  0.83273723  0.47159292  0.85464280  1
  C  C40  1  0.33219691  0.38342124  0.85412929  1
  C  C41  1  0.16726203  0.52840558  0.14535966  1
  C  C42  1  0.78576928  0.60657187  0.24085710  1
  C  C43  1  0.71572209  0.36624605  0.75858287  1
  C  C44  1  0.21422576  0.39342694  0.75913975  1
  C  C45  1  0.28427866  0.63375260  0.24141800  1
  C  C46  1  0.89061233  0.71619852  0.33436351  1
  C  C47  1  0.61007673  0.38213878  0.66579805  1
  C  C48  1  0.10938300  0.28379988  0.66563379  1
  C  C49  1  0.38992591  0.61786120  0.33420285  1
  C  C50  1  0.62232826  0.03593943  0.50163635  1
  C  C51  1  0.87749691  0.53311202  0.49977745  1
  C  C52  1  0.37767078  0.96406208  0.49836415  1
  C  C53  1  0.12250658  0.46688966  0.50022504  1
  C  C54  1  0.55661779  0.94521013  0.54066119  1
  C  C55  1  0.94488422  0.40426689  0.45952419  1
  C  C56  1  0.44338128  0.05479160  0.45933948  1
  C  C57  1  0.05511925  0.59573468  0.54047818  1
  C  C58  1  0.55905522  0.50186177  0.04861552  1
  C  C59  1  0.94160337  0.45309070  0.95080188  1
  C  C60  1  0.44094122  0.49813775  0.95138046  1
  C  C61  1  0.05839508  0.54690731  0.04920059  1
  N  N62  1  0.88036002  0.83557947  0.34211219  1
  N  N63  1  0.61859460  0.49532572  0.65939638  1
  N  N64  1  0.11963650  0.16441916  0.65788524  1
  N  N65  1  0.38140921  0.50467535  0.34060631  1
  O  O66  1  0.96413664  0.92407584  0.62218755  1
  O  O67  1  0.53929123  0.30949695  0.38673515  1
  O  O68  1  0.03586225  0.07592309  0.37781043  1
  O  O69  1  0.46071227  0.69050478  0.61326775  1
  O  O70  1  0.76568543  0.09153985  0.51182611  1
  O  O71  1  0.72764060  0.57380538  0.49067353  1
  O  O72  1  0.23431371  0.90846119  0.48817381  1
  O  O73  1  0.27236264  0.42619616  0.50932948  1
  O  O74  1  0.62545648  0.88521680  0.59783974  1
  O  O75  1  0.87122361  0.28824885  0.40133845  1
  O  O76  1  0.37454293  0.11478442  0.40216034  1
  O  O77  1  0.12877978  0.71175263  0.59866089  1
