# generated using pymatgen
data_NiH20C26S2(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.01705972
_cell_length_b   11.10839530
_cell_length_c   11.69683796
_cell_angle_alpha   62.91709617
_cell_angle_beta   79.17389762
_cell_angle_gamma   77.42668857
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH20C26S2(NO2)2
_chemical_formula_sum   'Ni2 H40 C52 S4 N4 O8'
_cell_volume   1237.45186050
_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  0.80349268  0.22223650  0.33204290  1
  Ni  Ni1  1  0.19650834  0.77776391  0.66795509  1
  H  H2  1  0.74958203  0.43149967  0.43314925  1
  H  H3  1  0.25041905  0.56849711  0.56685437  1
  H  H4  1  0.59130178  0.63487583  0.41161494  1
  H  H5  1  0.40869660  0.36511817  0.58839379  1
  H  H6  1  0.41834260  0.55787885  0.15144419  1
  H  H7  1  0.58166039  0.44212447  0.84855587  1
  H  H8  1  0.58179764  0.35602121  0.18656575  1
  H  H9  1  0.41820682  0.64398309  0.81343063  1
  H  H10  1  0.22645236  0.87554229  0.14469277  1
  H  H11  1  0.77355211  0.12445543  0.85530578  1
  H  H12  1  0.34449694  0.79623380  0.06445771  1
  H  H13  1  0.65551041  0.20375984  0.93554558  1
  H  H14  1  0.15364946  0.63339468  0.38549427  1
  H  H15  1  0.84635199  0.36660577  0.61450720  1
  H  H16  1  0.03630272  0.44316544  0.43750858  1
  H  H17  1  0.96370019  0.55683356  0.56249372  1
  H  H18  1  0.09231032  0.52316993  0.03591438  1
  H  H19  1  0.90769488  0.47682596  0.96408844  1
  H  H20  1  0.23255879  0.68697225  0.99207593  1
  H  H21  1  0.76744564  0.31302479  0.00792607  1
  H  H22  1  0.58194875  0.08503955  0.47320314  1
  H  H23  1  0.41805062  0.91497047  0.52678973  1
  H  H24  1  0.52708348  0.89695059  0.68565106  1
  H  H25  1  0.47291247  0.10306109  0.31434171  1
  H  H26  1  0.89033064  0.88275807  0.79058668  1
  H  H27  1  0.10966226  0.11724888  0.20941324  1
  H  H28  1  0.92864236  0.06893373  0.57655025  1
  H  H29  1  0.07135597  0.93107085  0.42344959  1
  H  H30  1  0.76396327  0.60703891  0.08086124  1
  H  H31  1  0.23602962  0.39296313  0.91913127  1
  H  H32  1  0.86942942  0.69346702  0.94753443  1
  H  H33  1  0.13056198  0.30653859  0.05245887  1
  H  H34  1  0.98073956  0.78632686  0.03969917  1
  H  H35  1  0.01925517  0.21366110  0.96030972  1
  H  H36  1  0.98111869  0.93314974  0.14808876  1
  H  H37  1  0.01887857  0.06683506  0.85192257  1
  H  H38  1  0.57886310  0.01427774  0.17753470  1
  H  H39  1  0.42113534  0.98572174  0.82246697  1
  H  H40  1  0.57762405  0.85958312  0.07785569  1
  H  H41  1  0.42237096  0.14041778  0.92214535  1
  C  C42  1  0.67282571  0.46053926  0.37505389  1
  C  C43  1  0.32717568  0.53945835  0.62494857  1
  C  C44  1  0.58462311  0.57526147  0.36151037  1
  C  C45  1  0.41537794  0.42473576  0.63849390  1
  C  C46  1  0.48859344  0.61002741  0.28322130  1
  C  C47  1  0.51140932  0.38997270  0.71678059  1
  C  C48  1  0.48722305  0.53196321  0.21745422  1
  C  C49  1  0.51278065  0.46803937  0.78254537  1
  C  C50  1  0.57874817  0.41822307  0.23708571  1
  C  C51  1  0.42125523  0.58177898  0.76291284  1
  C  C52  1  0.28410083  0.77778747  0.15516749  1
  C  C53  1  0.71590377  0.22220961  0.84483414  1
  C  C54  1  0.20505348  0.66948459  0.18700241  1
  C  C55  1  0.79494972  0.33051349  0.81299954  1
  C  C56  1  0.14494805  0.60342650  0.31064594  1
  C  C57  1  0.85505407  0.39657291  0.68935598  1
  C  C58  1  0.07538165  0.50055422  0.33852495  1
  C  C59  1  0.92462111  0.49944475  0.66147745  1
  C  C60  1  0.05430029  0.47011762  0.24069348  1
  C  C61  1  0.94570261  0.52988153  0.75930843  1
  C  C62  1  0.10981972  0.54094450  0.11522778  1
  C  C63  1  0.89018408  0.45905323  0.88477497  1
  C  C64  1  0.18704466  0.63628149  0.08998598  1
  C  C65  1  0.81295970  0.36371606  0.91001576  1
  C  C66  1  0.96962649  0.36908573  0.26966905  1
  C  C67  1  0.03037668  0.63091304  0.73033290  1
  C  C68  1  0.64784528  0.03617026  0.54567367  1
  C  C69  1  0.35215288  0.96383830  0.45432025  1
  C  C70  1  0.61698118  0.93161409  0.66566209  1
  C  C71  1  0.38301471  0.06839519  0.33433176  1
  C  C72  1  0.70409403  0.87417311  0.75711313  1
  C  C73  1  0.29590087  0.12583444  0.24288184  1
  C  C74  1  0.81863973  0.92269368  0.72496228  1
  C  C75  1  0.18135620  0.07731200  0.27503526  1
  C  C76  1  0.84163732  0.02715143  0.60293755  1
  C  C77  1  0.15836142  0.97285344  0.39706000  1
  C  C78  1  0.77932714  0.70763112  0.00241311  1
  C  C79  1  0.22066548  0.29237230  0.99758240  1
  C  C80  1  0.77828197  0.80812689  0.05618989  1
  C  C81  1  0.22171244  0.19187157  0.94381086  1
  C  C82  1  0.89176493  0.83260547  0.07316436  1
  C  C83  1  0.10823037  0.16738697  0.92684093  1
  C  C84  1  0.89308733  0.91661544  0.13179608  1
  C  C85  1  0.10690959  0.08337609  0.86820960  1
  C  C86  1  0.78131109  0.98207109  0.17082585  1
  C  C87  1  0.21868705  0.01792651  0.82917556  1
  C  C88  1  0.66734863  0.96305067  0.14898461  1
  C  C89  1  0.33264878  0.03694898  0.85101634  1
  C  C90  1  0.66671168  0.87578198  0.09319656  1
  C  C91  1  0.33328402  0.12421780  0.90680434  1
  C  C92  1  0.78813023  0.07288310  0.23088200  1
  C  C93  1  0.21187035  0.92711626  0.76911690  1
  S  S94  1  0.37919591  0.74943571  0.27758484  1
  S  S95  1  0.62080436  0.25056204  0.72242006  1
  S  S96  1  0.65547407  0.74652564  0.90365153  1
  S  S97  1  0.34451810  0.25348291  0.09634366  1
  N  N98  1  0.66813977  0.38062980  0.31718921  1
  N  N99  1  0.33186305  0.61937077  0.68280987  1
  N  N100  1  0.75884627  0.08225282  0.51356363  1
  N  N101  1  0.24115367  0.91775260  0.48643236  1
  O  O102  1  0.93614088  0.29249800  0.38775095  1
  O  O103  1  0.06386174  0.70750217  0.61225104  1
  O  O104  1  0.92872398  0.36367666  0.17729322  1
  O  O105  1  0.07128146  0.63631939  0.82270896  1
  O  O106  1  0.89315180  0.07358940  0.26143273  1
  O  O107  1  0.10684890  0.92640665  0.73856727  1
  O  O108  1  0.68898428  0.14941441  0.24898183  1
  O  O109  1  0.31101792  0.85058931  0.75101361  1
