# generated using pymatgen
data_Mn2CrNi2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35290684
_cell_length_b   9.71304368
_cell_length_c   13.65172260
_cell_angle_alpha   103.47182205
_cell_angle_beta   90.00005908
_cell_angle_gamma   90.00017149
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrNi2H32C12(NO2)6
_chemical_formula_sum   'Mn4 Cr2 Ni4 H64 C24 N12 O24'
_cell_volume   1206.06896617
_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  0.09486314  0.85666708  0.73433365  1
  Ni  Ni1  1  0.59479774  0.64345551  0.76567282  1
  Ni  Ni2  1  0.90516780  0.14347756  0.26566118  1
  Ni  Ni3  1  0.40508437  0.35674273  0.23431623  1
  Mn  Mn4  1  0.94868946  0.55805901  0.72418936  1
  Mn  Mn5  1  0.44871896  0.94198869  0.77583090  1
  Mn  Mn6  1  0.05125199  0.44199390  0.27582143  1
  Mn  Mn7  1  0.55130741  0.05806365  0.22419016  1
  Cr  Cr8  1  0.00002404  0.99991773  1.00003520  1
  Cr  Cr9  1  0.50003741  0.49997299  0.50002484  1
  H  H10  1  0.18836399  0.19689472  0.09386162  1
  H  H11  1  0.68833806  0.30307225  0.40615460  1
  H  H12  1  0.81167830  0.80304890  0.90617338  1
  H  H13  1  0.31165479  0.69693248  0.59385235  1
  H  H14  1  0.27525049  0.09827733  0.99484372  1
  H  H15  1  0.77518279  0.40172101  0.50517191  1
  H  H16  1  0.72484950  0.90169050  0.00520029  1
  H  H17  1  0.22477956  0.59830913  0.49482836  1
  H  H18  1  0.52888654  0.46535988  0.87620692  1
  H  H19  1  0.02886916  0.03462166  0.62377711  1
  H  H20  1  0.47104096  0.53473957  0.12386468  1
  H  H21  1  0.97110651  0.96537340  0.37618632  1
  H  H22  1  0.54142746  0.22271447  0.89288485  1
  H  H23  1  0.04141947  0.27724888  0.60705492  1
  H  H24  1  0.45857663  0.77726392  0.10704797  1
  H  H25  1  0.95861090  0.72275700  0.39294180  1
  H  H26  1  0.77192989  0.03493660  0.85040921  1
  H  H27  1  0.27195900  0.46502990  0.64953502  1
  H  H28  1  0.22807085  0.96503163  0.14951222  1
  H  H29  1  0.72812960  0.53495470  0.35045362  1
  H  H30  1  0.92272680  0.11049058  0.80566146  1
  H  H31  1  0.42275445  0.38946337  0.69431952  1
  H  H32  1  0.07726195  0.88949388  0.19430307  1
  H  H33  1  0.57729997  0.61047312  0.30566873  1
  H  H34  1  0.21632253  0.32804713  0.96739873  1
  H  H35  1  0.71637887  0.17187600  0.53258328  1
  H  H36  1  0.78365983  0.67183841  0.03260305  1
  H  H37  1  0.28370859  0.82809006  0.46738048  1
  H  H38  1  0.15347817  0.17903735  0.87681615  1
  H  H39  1  0.65351156  0.32079577  0.62321258  1
  H  H40  1  0.84652787  0.82075545  0.12322593  1
  H  H41  1  0.34655538  0.67907378  0.37680397  1
  H  H42  1  0.57841055  0.39106771  0.07324035  1
  H  H43  1  0.07814150  0.10892867  0.42674973  1
  H  H44  1  0.42193211  0.60889318  0.92672310  1
  H  H45  1  0.92198272  0.89108620  0.57326733  1
  H  H46  1  0.74406225  0.43449623  0.00477014  1
  H  H47  1  0.24419247  0.06547251  0.49521565  1
  H  H48  1  0.25577583  0.56547474  0.99522007  1
  H  H49  1  0.75579085  0.93450387  0.50479074  1
  H  H50  1  0.79639678  0.26306357  0.10750810  1
  H  H51  1  0.29637057  0.23683606  0.39247823  1
  H  H52  1  0.20365311  0.73680906  0.89245771  1
  H  H53  1  0.70364586  0.76313365  0.60751935  1
  H  H54  1  0.68920796  0.13263823  0.02816571  1
  H  H55  1  0.18924531  0.36734240  0.47180134  1
  H  H56  1  0.31076927  0.86734003  0.97178016  1
  H  H57  1  0.81081485  0.63264894  0.52821101  1
  H  H58  1  0.79899450  0.33445877  0.81576704  1
  H  H59  1  0.29899389  0.16550256  0.68420942  1
  H  H60  1  0.20099476  0.66552033  0.18421689  1
  H  H61  1  0.70101176  0.83449064  0.31579434  1
  H  H62  1  0.69003430  0.19214716  0.75290560  1
  H  H63  1  0.19001741  0.30786567  0.74711573  1
  H  H64  1  0.30998777  0.80788041  0.24711430  1
  H  H65  1  0.81001398  0.69214789  0.25287179  1
  H  H66  1  0.98316843  0.35771956  0.05512056  1
  H  H67  1  0.48320773  0.14216838  0.44486797  1
  H  H68  1  0.01681211  0.64214497  0.94486504  1
  H  H69  1  0.51684125  0.85775690  0.55512407  1
  H  H70  1  0.96737200  0.36375180  0.92441550  1
  H  H71  1  0.46736732  0.13617289  0.57558181  1
  H  H72  1  0.03268358  0.63615971  0.07558174  1
  H  H73  1  0.53267850  0.86376471  0.42441946  1
  C  C74  1  0.83201021  0.13367898  0.85734026  1
  C  C75  1  0.33205754  0.36629963  0.64263324  1
  C  C76  1  0.16795366  0.86631415  0.14262294  1
  C  C77  1  0.66799821  0.63366851  0.35735489  1
  C  C78  1  0.14148620  0.23839809  0.95512956  1
  C  C79  1  0.64151098  0.26149663  0.54487715  1
  C  C80  1  0.85852303  0.76146166  0.04488948  1
  C  C81  1  0.35853643  0.73843508  0.45512050  1
  C  C82  1  0.67725975  0.34029417  0.99860205  1
  C  C83  1  0.17741560  0.15968052  0.50146555  1
  C  C84  1  0.32254188  0.65969695  0.00148032  1
  C  C85  1  0.82256466  0.84028349  0.49849670  1
  C  C86  1  0.75874814  0.22421025  0.03042429  1
  C  C87  1  0.25884479  0.27579890  0.46957198  1
  C  C88  1  0.24115776  0.77579799  0.96955298  1
  C  C89  1  0.74119769  0.72418134  0.53042576  1
  C  C90  1  0.73562448  0.24363801  0.82608710  1
  C  C91  1  0.23566713  0.25637618  0.67394073  1
  C  C92  1  0.26431542  0.75639395  0.17394148  1
  C  C93  1  0.76434639  0.74361421  0.32605030  1
  C  C94  1  0.99072420  0.29538522  0.97647667  1
  C  C95  1  0.49075436  0.20451851  0.52351594  1
  C  C96  1  0.00927218  0.70449481  0.02351439  1
  C  C97  1  0.50928890  0.79540740  0.47647829  1
  N  N98  1  0.88353871  0.17807849  0.96307172  1
  N  N99  1  0.38366036  0.32192058  0.53689720  1
  N  N100  1  0.11633878  0.82192999  0.03687829  1
  N  N101  1  0.61639739  0.67801338  0.46308891  1
  N  N102  1  0.17791656  0.14134551  0.01993723  1
  N  N103  1  0.67786592  0.35859928  0.48009003  1
  N  N104  1  0.82216271  0.85856470  0.98010899  1
  N  N105  1  0.32210771  0.64138908  0.51992926  1
  N  N106  1  0.62113317  0.29783879  0.89854937  1
  N  N107  1  0.12122028  0.20223290  0.60146720  1
  N  N108  1  0.37873707  0.70229131  0.10145575  1
  N  N109  1  0.87878344  0.79774326  0.39852663  1
  O  O110  1  0.04741562  0.93657009  0.87200429  1
  O  O111  1  0.54726900  0.56387608  0.62798745  1
  O  O112  1  0.95258914  0.06395897  0.12794721  1
  O  O113  1  0.45247688  0.43655878  0.37205895  1
  O  O114  1  -0.01585429  0.94961515  0.63942102  1
  O  O115  1  0.48415331  0.55037140  0.86056372  1
  O  O116  1  1.01581966  0.05037253  0.36054959  1
  O  O117  1  0.51585855  0.44973091  0.13945884  1
  O  O118  1  0.90099886  0.41800325  0.63480569  1
  O  O119  1  0.40105270  0.08209030  0.86516572  1
  O  O120  1  0.09896476  0.58208308  0.36515082  1
  O  O121  1  0.59899696  0.91801201  0.13481096  1
  O  O122  1  0.05472511  0.66117639  0.66823067  1
  O  O123  1  0.55473767  0.83889107  0.83183082  1
  O  O124  1  0.94522014  0.33892029  0.33183299  1
  O  O125  1  0.44527551  0.16116407  0.16821733  1
  O  O126  1  0.30296075  0.84300568  0.72446053  1
  O  O127  1  0.80294268  0.65704071  0.77559208  1
  O  O128  1  0.69701693  0.15706304  0.27561045  1
  O  O129  1  0.19693727  0.34292424  0.22444211  1
  O  O130  1  0.03745080  0.51100024  0.81658820  1
  O  O131  1  0.53748637  0.98897673  0.68341125  1
  O  O132  1  0.96249814  0.48898082  0.18340041  1
  O  O133  1  0.46251615  0.01101146  0.31658157  1
