# generated using pymatgen
data_MnCr2Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36552485
_cell_length_b   9.72925888
_cell_length_c   13.67537399
_cell_angle_alpha   103.43008316
_cell_angle_beta   90.00000386
_cell_angle_gamma   90.00012985
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2Ni2H32C12(NO2)6
_chemical_formula_sum   'Mn2 Cr4 Ni4 H64 C24 N12 O24'
_cell_volume   1212.01919542
_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
  Cr  Cr0  1  0.09759550  0.85307462  0.72896207  1
  Cr  Cr1  1  0.59759881  0.64692113  0.77103770  1
  Cr  Cr2  1  0.90240377  0.14692661  0.27103873  1
  Cr  Cr3  1  0.40240106  0.35307866  0.22896353  1
  Ni  Ni4  1  0.94293392  0.54668325  0.72963152  1
  Ni  Ni5  1  0.44293355  0.95331155  0.77036935  1
  Ni  Ni6  1  0.05706659  0.45331825  0.27036880  1
  Ni  Ni7  1  0.55706624  0.04668743  0.22963022  1
  Mn  Mn8  1  -0.00000073  1.00000069  1.00000018  1
  Mn  Mn9  1  0.49999973  0.49999927  0.50000068  1
  H  H10  1  0.19118549  0.19239571  0.08607259  1
  H  H11  1  0.69118505  0.30760231  0.41392406  1
  H  H12  1  0.80881261  0.80760535  0.91392724  1
  H  H13  1  0.30881579  0.69239821  0.58607675  1
  H  H14  1  0.27613338  0.09885348  0.98293893  1
  H  H15  1  0.77613248  0.40114651  0.51705520  1
  H  H16  1  0.72386488  0.90114695  0.01706169  1
  H  H17  1  0.22386763  0.59885438  0.48294606  1
  H  H18  1  0.57796736  0.37907491  0.86494656  1
  H  H19  1  0.07796953  0.12091905  0.63505486  1
  H  H20  1  0.42203142  0.62092591  0.13505388  1
  H  H21  1  0.92202788  0.87908259  0.36494317  1
  H  H22  1  0.46921029  0.16587976  0.89441634  1
  H  H23  1  -0.03079305  0.33411027  0.60559072  1
  H  H24  1  0.53078813  0.83412057  0.10558279  1
  H  H25  1  1.03079340  0.66589253  0.39440893  1
  H  H26  1  0.76110997  0.03357062  0.85229256  1
  H  H27  1  0.26111029  0.46642656  0.64770945  1
  H  H28  1  0.23888934  0.96643071  0.14770545  1
  H  H29  1  0.73889177  0.53357172  0.35229309  1
  H  H30  1  0.91287053  0.09486867  0.79773224  1
  H  H31  1  0.41287238  0.40512873  0.70226903  1
  H  H32  1  0.08712849  0.90513357  0.20226675  1
  H  H33  1  0.58712843  0.59486701  0.29773182  1
  H  H34  1  0.20703657  0.33220052  0.96928201  1
  H  H35  1  0.70703764  0.16780170  0.53071701  1
  H  H36  1  0.79296150  0.66780116  0.03071806  1
  H  H37  1  0.29296282  0.83219641  0.46928221  1
  H  H38  1  0.16552056  0.18460735  0.87177010  1
  H  H39  1  0.66552675  0.31539474  0.62822764  1
  H  H40  1  0.83448069  0.81539301  0.12823011  1
  H  H41  1  0.33447423  0.68460259  0.37177279  1
  H  H42  1  0.57934186  0.36730265  0.03951285  1
  H  H43  1  0.07934429  0.13269247  0.46048868  1
  H  H44  1  0.42065689  0.63269615  0.96048736  1
  H  H45  1  0.92065548  0.86731028  0.53950984  1
  H  H46  1  0.73529571  0.44331587  0.00276216  1
  H  H47  1  0.23529896  0.05668161  0.49724008  1
  H  H48  1  0.26470290  0.55668435  0.99723866  1
  H  H49  1  0.76469920  0.94331883  0.50275853  1
  H  H50  1  0.79693159  0.27018582  0.09967309  1
  H  H51  1  0.29693073  0.22981362  0.40032843  1
  H  H52  1  0.20306852  0.72981381  0.90032635  1
  H  H53  1  0.70307067  0.77018801  0.59967168  1
  H  H54  1  0.69391523  0.13629603  0.02163940  1
  H  H55  1  0.19391563  0.36370200  0.47836400  1
  H  H56  1  0.30608373  0.86370400  0.97836030  1
  H  H57  1  0.80608608  0.63629973  0.52163648  1
  H  H58  1  0.80582914  0.32062290  0.79780865  1
  H  H59  1  0.30583128  0.17937372  0.70219233  1
  H  H60  1  0.19417268  0.67938171  0.20219381  1
  H  H61  1  0.69417150  0.82061841  0.29780194  1
  H  H62  1  0.68424735  0.18213606  0.74542537  1
  H  H63  1  0.18424994  0.31786037  0.75457660  1
  H  H64  1  0.31575357  0.81787001  0.25457379  1
  H  H65  1  0.81575331  0.68213034  0.24542436  1
  H  H66  1  0.96533548  0.42579486  0.10577954  1
  H  H67  1  0.46533307  0.07420505  0.39422015  1
  H  H68  1  0.03466867  0.57420377  0.89421874  1
  H  H69  1  0.53466432  0.92579383  0.60578072  1
  H  H70  1  0.96830513  0.37750476  0.92732001  1
  H  H71  1  0.46831184  0.12249696  0.57268417  1
  H  H72  1  0.03169130  0.62249563  0.07268049  1
  H  H73  1  0.53168852  0.87750219  0.42731549  1
  C  C74  1  0.82487254  0.12737164  0.85044510  1
  C  C75  1  0.32487341  0.37262574  0.64955645  1
  C  C76  1  0.17512665  0.87262963  0.14955380  1
  C  C77  1  0.67512715  0.62737200  0.35044477  1
  C  C78  1  0.13962355  0.23705542  0.95023202  1
  C  C79  1  0.63962620  0.26294657  0.54976678  1
  C  C80  1  0.86037502  0.76294581  0.04976804  1
  C  C81  1  0.36037419  0.73705215  0.45023317  1
  C  C82  1  0.67305259  0.34401236  0.99031998  1
  C  C83  1  0.17305406  0.15598398  0.50968215  1
  C  C84  1  0.32694673  0.65598728  0.00968012  1
  C  C85  1  0.82694517  0.84401741  0.49031694  1
  C  C86  1  0.75878989  0.23013917  0.02285360  1
  C  C87  1  0.25879056  0.26985849  0.47714864  1
  C  C88  1  0.24120928  0.76985998  0.97714579  1
  C  C89  1  0.74121026  0.73014325  0.52285165  1
  C  C90  1  0.73622285  0.23753059  0.81531396  1
  C  C91  1  0.23622448  0.26246553  0.68468765  1
  C  C92  1  0.26377802  0.76247299  0.18468577  1
  C  C93  1  0.76377778  0.73752895  0.31531156  1
  C  C94  1  0.98963421  0.28223578  0.95730208  1
  C  C95  1  0.48963606  0.21776432  0.54269946  1
  C  C96  1  0.01036419  0.71776452  0.04269801  1
  C  C97  1  0.51036492  0.78223492  0.45729980  1
  N  N98  1  0.88047038  0.18326418  0.95417377  1
  N  N99  1  0.38047134  0.31673419  0.54582832  1
  N  N100  1  0.11952843  0.81673559  0.04582543  1
  N  N101  1  0.61952887  0.68326542  0.45417264  1
  N  N102  1  0.17657124  0.13756049  0.01274931  1
  N  N103  1  0.67657079  0.36243869  0.48724778  1
  N  N104  1  0.82342731  0.86244139  0.98725116  1
  N  N105  1  0.32342986  0.63756110  0.51275278  1
  N  N106  1  0.62556699  0.29613907  0.88726795  1
  N  N107  1  0.12556808  0.20385620  0.61273413  1
  N  N108  1  0.37443229  0.70386176  0.11273240  1
  N  N109  1  0.87443137  0.79614497  0.38726461  1
  O  O110  1  0.05778900  0.89971443  0.85255421  1
  O  O111  1  0.55779677  0.60028395  0.64744463  1
  O  O112  1  0.94220940  0.10028587  0.14744608  1
  O  O113  1  0.44220354  0.39971519  0.35255681  1
  O  O114  1  0.02284894  0.96474180  0.67074190  1
  O  O115  1  0.52285046  0.53525138  0.82925451  1
  O  O116  1  0.97715231  0.03526222  0.32926039  1
  O  O117  1  0.47714745  0.46474929  0.17074642  1
  O  O118  1  0.89214714  0.40565223  0.61520962  1
  O  O119  1  0.39215163  0.09433524  0.88479721  1
  O  O120  1  0.10785365  0.59435023  0.38479021  1
  O  O121  1  0.60784690  0.90566485  0.11520127  1
  O  O122  1  0.03853225  0.68984302  0.67555102  1
  O  O123  1  0.53853434  0.81015166  0.82444814  1
  O  O124  1  0.96146277  0.31016060  0.32444890  1
  O  O125  1  0.46146745  0.18984871  0.17555229  1
  O  O126  1  0.27553490  0.84715410  0.70911895  1
  O  O127  1  0.77553743  0.65284128  0.79088352  1
  O  O128  1  0.72446468  0.15284364  0.29088198  1
  O  O129  1  0.22446231  0.34715590  0.20911859  1
  O  O130  1  0.03676177  0.49148442  0.83772132  1
  O  O131  1  0.53675626  1.00851060  0.66227754  1
  O  O132  1  0.96324437  0.50852103  0.16227958  1
  O  O133  1  0.46324450  -0.00851573  0.33771984  1
