# generated using pymatgen
data_CoNiH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87781219
_cell_length_b   11.63330180
_cell_length_c   12.30173004
_cell_angle_alpha   118.35511384
_cell_angle_beta   100.15166058
_cell_angle_gamma   89.91113030
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiH28C32(NO3)4
_chemical_formula_sum   'Co1 Ni1 H28 C32 N4 O12'
_cell_volume   972.19373991
_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  0.99999602  0.99999762  0.49999711  1
  Ni  Ni1  1  0.50000189  0.50000080  0.50000136  1
  H  H2  1  0.84363819  0.90878743  0.62362784  1
  H  H3  1  0.65679752  0.28714387  0.37870390  1
  H  H4  1  0.15636209  0.09121248  0.37637156  1
  H  H5  1  0.34320593  0.71285737  0.62129764  1
  H  H6  1  0.02643368  0.84683328  0.61778632  1
  H  H7  1  0.47418954  0.23247237  0.38574211  1
  H  H8  1  0.97356689  0.15316662  0.38221223  1
  H  H9  1  0.52581377  0.76752862  0.61425933  1
  H  H10  1  0.76752110  0.94184930  0.25564475  1
  H  H11  1  0.73033494  0.68845209  0.74679007  1
  H  H12  1  0.23247761  0.05815031  0.74435324  1
  H  H13  1  0.26966689  0.31154997  0.25321618  1
  H  H14  1  0.57807466  0.75365024  0.07893347  1
  H  H15  1  0.91911951  0.67700199  0.92332484  1
  H  H16  1  0.42192453  0.24634911  0.92106237  1
  H  H17  1  0.08087893  0.32299786  0.07668155  1
  H  H18  1  0.79529245  0.51381843  0.24271875  1
  H  H19  1  0.70640357  0.27147963  0.75586589  1
  H  H20  1  0.20470120  0.48618005  0.75727767  1
  H  H21  1  0.29359657  0.72851867  0.24413345  1
  H  H22  1  0.98849001  0.70971967  0.40470885  1
  H  H23  1  0.51226970  0.30562807  0.59552124  1
  H  H24  1  0.01150399  0.29027855  0.59528882  1
  H  H25  1  0.48773365  0.69437275  0.40447883  1
  H  H26  1  0.57163693  0.41161589  0.05565126  1
  H  H27  1  0.92983302  0.35534097  0.94216663  1
  H  H28  1  0.42835892  0.58838334  0.94434475  1
  H  H29  1  0.07016558  0.64465647  0.05783525  1
  C  C30  1  0.76906234  0.84529384  0.24916104  1
  C  C31  1  0.72940715  0.59800177  0.75249628  1
  C  C32  1  0.23093451  0.15470524  0.75083559  1
  C  C33  1  0.27059444  0.40199948  0.24750822  1
  C  C34  1  0.66359241  0.73937268  0.15060325  1
  C  C35  1  0.83480583  0.59054336  0.85091364  1
  C  C36  1  0.33640506  0.26062640  0.84939293  1
  C  C37  1  0.16519349  0.40945649  0.14909084  1
  C  C38  1  0.66822242  0.61566468  0.14588844  1
  C  C39  1  0.83166984  0.47090277  0.85443561  1
  C  C40  1  0.33177376  0.38433421  0.85410778  1
  C  C41  1  0.16832995  0.52909597  0.14556716  1
  C  C42  1  0.78650437  0.60658001  0.24114676  1
  C  C43  1  0.71414162  0.36632966  0.75837559  1
  C  C44  1  0.21349037  0.39341838  0.75884989  1
  C  C45  1  0.28585911  0.63366943  0.24162540  1
  C  C46  1  0.89091344  0.71669884  0.33397036  1
  C  C47  1  0.60947401  0.38388344  0.66618930  1
  C  C48  1  0.10908121  0.28329920  0.66602699  1
  C  C49  1  0.39052829  0.61611715  0.33381193  1
  C  C50  1  0.62196743  0.03886305  0.50520994  1
  C  C51  1  0.87754106  0.53338262  0.49582379  1
  C  C52  1  0.37803226  0.96113861  0.49479070  1
  C  C53  1  0.12246223  0.46661866  0.50417876  1
  C  C54  1  0.55651727  0.94711993  0.54287363  1
  C  C55  1  0.94419395  0.40411384  0.45807272  1
  C  C56  1  0.44348248  0.05288201  0.45712704  1
  C  C57  1  0.05580917  0.59588728  0.54192992  1
  C  C58  1  0.55872568  0.50137960  0.04850569  1
  C  C59  1  0.94154057  0.45305885  0.95097928  1
  C  C60  1  0.44127060  0.49861955  0.95149026  1
  C  C61  1  0.05845819  0.54693858  0.04902307  1
  N  N62  1  0.87823609  0.83584572  0.34194914  1
  N  N63  1  0.62130487  0.49540996  0.65884697  1
  N  N64  1  0.12175853  0.16415228  0.65804797  1
  N  N65  1  0.37869862  0.50459120  0.34115558  1
  O  O66  1  0.96748277  0.92405310  0.62185209  1
  O  O67  1  0.53327390  0.30501645  0.38117893  1
  O  O68  1  0.03251795  0.07594753  0.37814781  1
  O  O69  1  0.46672961  0.69498519  0.61882359  1
  O  O70  1  0.76706496  0.09223554  0.51657743  1
  O  O71  1  0.73161412  0.57445845  0.48377200  1
  O  O72  1  0.23293528  0.90776581  0.48342294  1
  O  O73  1  0.26838928  0.42554269  0.51623085  1
  O  O74  1  0.62755084  0.89189595  0.60354125  1
  O  O75  1  0.87306325  0.28817903  0.39558412  1
  O  O76  1  0.37244935  0.10810515  0.39645860  1
  O  O77  1  0.12693982  0.71182230  0.60441515  1
