# generated using pymatgen
data_CrCo2Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34783663
_cell_length_b   9.70639146
_cell_length_c   13.64305404
_cell_angle_alpha   103.56621768
_cell_angle_beta   90.00003112
_cell_angle_gamma   90.00013747
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCo2Ni2H32C12(NO2)6
_chemical_formula_sum   'Cr2 Co4 Ni4 H64 C24 N12 O24'
_cell_volume   1203.34795318
_cell_formula_units_Z   2
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  0.09841145  0.84086462  0.73998127  1
  Ni  Ni1  1  0.59836427  0.65921119  0.76002425  1
  Ni  Ni2  1  0.90165712  0.15938491  0.25993964  1
  Ni  Ni3  1  0.40158100  0.34068164  0.24006107  1
  Co  Co4  1  0.94375716  0.55658665  0.73222934  1
  Co  Co5  1  0.44377906  0.94343627  0.76776731  1
  Co  Co6  1  0.05620549  0.44346129  0.26783003  1
  Co  Co7  1  0.55624625  0.05658809  0.23216676  1
  Cr  Cr8  1  0.00005286  0.99971169  0.99989594  1
  Cr  Cr9  1  0.50009051  0.50027235  0.50008849  1
  H  H10  1  0.18601234  0.20111126  0.09385475  1
  H  H11  1  0.68601375  0.29891543  0.40613144  1
  H  H12  1  0.81394704  0.79858847  0.90615828  1
  H  H13  1  0.31396409  0.70143578  0.59382681  1
  H  H14  1  0.27425627  0.10085417  0.99585094  1
  H  H15  1  0.77424432  0.39918397  0.50412532  1
  H  H16  1  0.72610492  0.89914262  0.00423311  1
  H  H17  1  0.22608640  0.60092075  0.49575595  1
  H  H18  1  0.54087320  0.45803337  0.87131753  1
  H  H19  1  0.04086320  0.04198796  0.62868850  1
  H  H20  1  0.45910008  0.54196350  0.12871334  1
  H  H21  1  0.95906206  0.95806301  0.37127731  1
  H  H22  1  0.53231924  0.21542720  0.88869105  1
  H  H23  1  0.03234116  0.28458135  0.61130690  1
  H  H24  1  0.46763113  0.78462264  0.11130946  1
  H  H25  1  0.96764601  0.71542728  0.38868759  1
  H  H26  1  0.76824271  0.02935699  0.85299895  1
  H  H27  1  0.26835462  0.47062985  0.64701186  1
  H  H28  1  0.23157593  0.97074462  0.14694320  1
  H  H29  1  0.73169870  0.52924160  0.35306023  1
  H  H30  1  0.91893366  0.10193599  0.80508871  1
  H  H31  1  0.41901191  0.39796950  0.69490982  1
  H  H32  1  0.08089844  0.89809489  0.19483605  1
  H  H33  1  0.58098332  0.60180056  0.30515171  1
  H  H34  1  0.21247108  0.32853614  0.96638255  1
  H  H35  1  0.71253596  0.17146677  0.53356278  1
  H  H36  1  0.78754740  0.67106165  0.03351341  1
  H  H37  1  0.28762183  0.82893715  0.46641558  1
  H  H38  1  0.15374435  0.17706910  0.87589587  1
  H  H39  1  0.65380979  0.32290228  0.62408735  1
  H  H40  1  0.84615616  0.82238273  0.12413010  1
  H  H41  1  0.34624253  0.67756470  0.37585342  1
  H  H42  1  0.56177272  0.40648237  0.09720896  1
  H  H43  1  0.06176478  0.09351929  0.40285338  1
  H  H44  1  0.43821330  0.59354365  0.90290241  1
  H  H45  1  0.93823807  0.90643978  0.59711360  1
  H  H46  1  0.72996448  0.43759465  0.00260607  1
  H  H47  1  0.22995206  0.06237915  0.49743910  1
  H  H48  1  0.27001772  0.56238974  0.99744393  1
  H  H49  1  0.76999549  0.93757936  0.50261274  1
  H  H50  1  0.79582354  0.27163223  0.10585700  1
  H  H51  1  0.29584112  0.22830780  0.39414781  1
  H  H52  1  0.20418385  0.72818128  0.89408611  1
  H  H53  1  0.70420129  0.77173326  0.60591734  1
  H  H54  1  0.68992068  0.13380126  0.03285793  1
  H  H55  1  0.18995894  0.36616292  0.46716086  1
  H  H56  1  0.30999171  0.86610582  0.96700968  1
  H  H57  1  0.81004300  0.63384802  0.53299309  1
  H  H58  1  0.79117912  0.32241935  0.80722166  1
  H  H59  1  0.29116412  0.17758415  0.69280837  1
  H  H60  1  0.20872839  0.67771702  0.19279063  1
  H  H61  1  0.70869985  0.82228144  0.30723046  1
  H  H62  1  0.68090369  0.17613002  0.75099503  1
  H  H63  1  0.18091990  0.32390968  0.74901065  1
  H  H64  1  0.31897902  0.82403293  0.24899139  1
  H  H65  1  0.81899765  0.67602262  0.25101432  1
  H  H66  1  0.98049617  0.36016702  0.05273484  1
  H  H67  1  0.48054827  0.13979952  0.44725092  1
  H  H68  1  0.01954413  0.63955029  0.94725192  1
  H  H69  1  0.51960726  0.86040845  0.55273352  1
  H  H70  1  0.96516372  0.35999500  0.92025818  1
  H  H71  1  0.46524463  0.13995986  0.57973046  1
  H  H72  1  0.03510021  0.63986429  0.07975121  1
  H  H73  1  0.53519864  0.86008411  0.42023341  1
  C  C74  1  0.82852091  0.12757151  0.85683016  1
  C  C75  1  0.32858683  0.37238940  0.64317290  1
  C  C76  1  0.17134189  0.87250842  0.14311716  1
  C  C77  1  0.67140992  0.62744671  0.35687946  1
  C  C78  1  0.13905569  0.23743093  0.95389280  1
  C  C79  1  0.63910232  0.26255730  0.54608729  1
  C  C80  1  0.86096236  0.76217448  0.04609754  1
  C  C81  1  0.36101976  0.73781154  0.45387765  1
  C  C82  1  0.67566041  0.33469774  0.99208428  1
  C  C83  1  0.17566015  0.16527727  0.50792670  1
  C  C84  1  0.32428448  0.66529401  0.00794827  1
  C  C85  1  0.82428519  0.83468458  0.49207673  1
  C  C86  1  0.75612146  0.22617196  0.02975361  1
  C  C87  1  0.25615041  0.27378283  0.47025475  1
  C  C88  1  0.24384073  0.77373404  0.97019213  1
  C  C89  1  0.74386771  0.72620384  0.52981280  1
  C  C90  1  0.73025621  0.23243704  0.82193286  1
  C  C91  1  0.23027022  0.26756954  0.67807921  1
  C  C92  1  0.26963486  0.76769956  0.17806058  1
  C  C93  1  0.76964301  0.73231607  0.32195099  1
  C  C94  1  0.98798424  0.29393227  0.97419088  1
  C  C95  1  0.48803731  0.20603113  0.52579771  1
  C  C96  1  0.01207144  0.70581519  0.02579778  1
  C  C97  1  0.51213489  0.79414562  0.47418773  1
  N  N98  1  0.88165156  0.17625834  0.96240274  1
  N  N99  1  0.38169412  0.32369317  0.53759574  1
  N  N100  1  0.11823126  0.82369204  0.03749777  1
  N  N101  1  0.61827523  0.67624685  0.46249447  1
  N  N102  1  0.17602020  0.14260348  0.01995754  1
  N  N103  1  0.67601317  0.35741343  0.48003000  1
  N  N104  1  0.82417013  0.85708400  0.98003889  1
  N  N105  1  0.32417590  0.64293053  0.51994871  1
  N  N106  1  0.61680958  0.28883502  0.89569264  1
  N  N107  1  0.11681671  0.21117033  0.60432496  1
  N  N108  1  0.38311229  0.71124125  0.10433895  1
  N  N109  1  0.88310743  0.78878871  0.39567768  1
  O  O110  1  0.04631711  0.94070407  0.87284652  1
  O  O111  1  0.54627680  0.55940037  0.62716220  1
  O  O112  1  0.95344984  0.06088435  0.12695407  1
  O  O113  1  0.45338302  0.43923189  0.37304440  1
  O  O114  1  -0.00272906  0.96272630  0.65346638  1
  O  O115  1  0.49727608  0.53729649  0.84654956  1
  O  O116  1  1.00265634  0.03732113  0.34650728  1
  O  O117  1  0.50265671  0.46272748  0.15352818  1
  O  O118  1  0.89865155  0.40842528  0.64937671  1
  O  O119  1  0.39864187  0.09162434  0.85058453  1
  O  O120  1  0.10138293  0.59168734  0.35060952  1
  O  O121  1  0.60137840  0.90838319  0.14934703  1
  O  O122  1  0.05045784  0.65289504  0.67061617  1
  O  O123  1  0.55046260  0.84717036  0.82943183  1
  O  O124  1  0.94948585  0.34726238  0.32954579  1
  O  O125  1  0.44951107  0.15282071  0.17048585  1
  O  O126  1  0.29966376  0.83950938  0.71865466  1
  O  O127  1  0.79962264  0.66048932  0.78133726  1
  O  O128  1  0.70038092  0.16045415  0.28130050  1
  O  O129  1  0.20031869  0.33956752  0.21868228  1
  O  O130  1  0.03106585  0.52130657  0.82984538  1
  O  O131  1  0.53112458  0.97867743  0.67015613  1
  O  O132  1  0.96886416  0.47870241  0.17021719  1
  O  O133  1  0.46891852  0.02132236  0.32977689  1
