# generated using pymatgen
data_MnCr2Fe2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35926036
_cell_length_b   9.71248492
_cell_length_c   13.67166953
_cell_angle_alpha   103.35808216
_cell_angle_beta   90.00001527
_cell_angle_gamma   90.00013306
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2Fe2H32C12(NO2)6
_chemical_formula_sum   'Mn2 Cr4 Fe4 H64 C24 N12 O24'
_cell_volume   1209.15451781
_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
  Fe  Fe0  1  0.10186973  0.87208845  0.73681305  1
  Fe  Fe1  1  0.60187303  0.62790245  0.76318608  1
  Fe  Fe2  1  0.89812889  0.12791152  0.26318573  1
  Fe  Fe3  1  0.39812591  0.37209980  0.23681619  1
  Cr  Cr4  1  0.95520635  0.56546918  0.71908674  1
  Cr  Cr5  1  0.45520637  0.93452121  0.78091609  1
  Cr  Cr6  1  0.04479207  0.43453278  0.28091476  1
  Cr  Cr7  1  0.54479169  0.06547855  0.21908242  1
  Mn  Mn8  1  -0.00000037  1.00000027  0.99999936  1
  Mn  Mn9  1  0.50000037  0.50000003  0.50000091  1
  H  H10  1  0.19009776  0.19118617  0.08885536  1
  H  H11  1  0.69009175  0.30881042  0.41114091  1
  H  H12  1  0.80990371  0.80881299  0.91114354  1
  H  H13  1  0.30990951  0.69119106  0.58886065  1
  H  H14  1  0.27603534  0.09550880  0.98785437  1
  H  H15  1  0.77603536  0.40448767  0.51213916  1
  H  H16  1  0.72396421  0.90448959  0.01214417  1
  H  H17  1  0.22396424  0.59551398  0.48786313  1
  H  H18  1  0.55567148  0.43823379  0.85639957  1
  H  H19  1  0.05567297  0.06175569  0.64359903  1
  H  H20  1  0.44432751  0.56176860  0.14360326  1
  H  H21  1  0.94432684  0.93824613  0.35639996  1
  H  H22  1  0.54896352  0.21542127  0.88293671  1
  H  H23  1  0.04896229  0.28456791  0.61706594  1
  H  H24  1  0.45103573  0.78457874  0.11706286  1
  H  H25  1  0.95103845  0.71543363  0.38293388  1
  H  H26  1  0.78036305  0.03230187  0.84845299  1
  H  H27  1  0.28036201  0.46769366  0.65154885  1
  H  H28  1  0.21963648  0.96769856  0.15154527  1
  H  H29  1  0.71963913  0.53230506  0.34845388  1
  H  H30  1  0.93055234  0.10935569  0.80486207  1
  H  H31  1  0.43055248  0.39064064  0.69513946  1
  H  H32  1  0.06944679  0.89064530  0.19513601  1
  H  H33  1  0.56944791  0.60935559  0.30486216  1
  H  H34  1  0.21694562  0.32802634  0.96629229  1
  H  H35  1  0.71694539  0.17197287  0.53370552  1
  H  H36  1  0.78305534  0.67197243  0.03370635  1
  H  H37  1  0.28305591  0.82802693  0.46629485  1
  H  H38  1  0.15149095  0.18225463  0.87444559  1
  H  H39  1  0.65149457  0.31774627  0.62555225  1
  H  H40  1  0.84851019  0.81774359  0.12555331  1
  H  H41  1  0.34850718  0.68225287  0.37444900  1
  H  H42  1  0.58219973  0.36321738  0.04643468  1
  H  H43  1  0.08220138  0.13677269  0.45356452  1
  H  H44  1  0.41780003  0.63678025  0.95356479  1
  H  H45  1  0.91779872  0.86323023  0.54643481  1
  H  H46  1  0.73829693  0.43064584  0.00271046  1
  H  H47  1  0.23830141  0.06935114  0.49729275  1
  H  H48  1  0.26170186  0.56935426  0.99729001  1
  H  H49  1  0.76169720  0.93064908  0.50270614  1
  H  H50  1  0.79590500  0.25610426  0.10332111  1
  H  H51  1  0.29590277  0.24389563  0.39668016  1
  H  H52  1  0.20409641  0.74389420  0.89667769  1
  H  H53  1  0.70409998  0.75610657  0.60332091  1
  H  H54  1  0.69362759  0.12485714  0.02214298  1
  H  H55  1  0.19362535  0.37513936  0.47786031  1
  H  H56  1  0.30637348  0.87514196  0.97785596  1
  H  H57  1  0.80637701  0.62486253  0.52214082  1
  H  H58  1  0.80909492  0.33311081  0.81479567  1
  H  H59  1  0.30909735  0.16688570  0.68520660  1
  H  H60  1  0.19090388  0.66689046  0.18520393  1
  H  H61  1  0.69090148  0.83311047  0.31479177  1
  H  H62  1  0.70497953  0.19000951  0.74728886  1
  H  H63  1  0.20498069  0.30998635  0.75271220  1
  H  H64  1  0.29501909  0.80999219  0.25271046  1
  H  H65  1  0.79501908  0.69000883  0.24728833  1
  H  H66  1  0.98464045  0.35149521  0.05570218  1
  H  H67  1  0.48463804  0.14850177  0.44429862  1
  H  H68  1  0.01536041  0.64850458  0.94429606  1
  H  H69  1  0.51536295  0.85149867  0.55570231  1
  H  H70  1  0.96707661  0.36889566  0.92827959  1
  H  H71  1  0.46707784  0.13110358  0.57172204  1
  H  H72  1  0.03292436  0.63110384  0.07171863  1
  H  H73  1  0.53292307  0.86889535  0.42827850  1
  C  C74  1  0.83908162  0.13176722  0.85536435  1
  C  C75  1  0.33908157  0.36822906  0.64463685  1
  C  C76  1  0.16091783  0.86823329  0.14463421  1
  C  C77  1  0.66091891  0.63176907  0.35536478  1
  C  C78  1  0.14169953  0.23885758  0.95327928  1
  C  C79  1  0.64169986  0.26114163  0.54671898  1
  C  C80  1  0.85830109  0.76114145  0.04671946  1
  C  C81  1  0.35830123  0.73885805  0.45328213  1
  C  C82  1  0.67321805  0.33439252  0.99454412  1
  C  C83  1  0.17321908  0.16560154  0.50545702  1
  C  C84  1  0.32678178  0.66560675  0.00545561  1
  C  C85  1  0.82678077  0.83439954  0.49454248  1
  C  C86  1  0.75970920  0.21908746  0.02598305  1
  C  C87  1  0.25970805  0.28090949  0.47401868  1
  C  C88  1  0.24029149  0.78091184  0.97401584  1
  C  C89  1  0.74029341  0.71909174  0.52598227  1
  C  C90  1  0.74530198  0.24084212  0.82202203  1
  C  C91  1  0.24530317  0.25915291  0.67797929  1
  C  C92  1  0.25469706  0.75915880  0.17797738  1
  C  C93  1  0.75469640  0.74084435  0.32202068  1
  C  C94  1  0.99154608  0.29515794  0.97635806  1
  C  C95  1  0.49154571  0.20484048  0.52364243  1
  C  C96  1  0.00845459  0.70484151  0.02364024  1
  C  C97  1  0.50845531  0.79515923  0.47635862  1
  N  N98  1  0.88548053  0.17830131  0.96077369  1
  N  N99  1  0.38547968  0.32169650  0.53922761  1
  N  N100  1  0.11451985  0.82169857  0.03922472  1
  N  N101  1  0.61452136  0.67830339  0.46077413  1
  N  N102  1  0.17909646  0.13807424  0.01487153  1
  N  N103  1  0.67909492  0.36192334  0.48512502  1
  N  N104  1  0.82090380  0.86192502  0.98512746  1
  N  N105  1  0.32090545  0.63807727  0.51487663  1
  N  N106  1  0.62674755  0.29172696  0.89010363  1
  N  N107  1  0.12674901  0.20826525  0.60989767  1
  N  N108  1  0.37325187  0.70827339  0.10989617  1
  N  N109  1  0.87325037  0.79173504  0.39010176  1
  O  O110  1  0.04841963  0.91336573  0.86938096  1
  O  O111  1  0.54842737  0.58663526  0.63061780  1
  O  O112  1  0.95157928  0.08663574  0.13061769  1
  O  O113  1  0.45157367  0.41336394  0.36938407  1
  O  O114  1  0.00406293  0.98092764  0.66191965  1
  O  O115  1  0.50406130  0.51905751  0.83807325  1
  O  O116  1  0.99593743  0.01907331  0.33807880  1
  O  O117  1  0.49593927  0.48094781  0.16193210  1
  O  O118  1  0.90937187  0.43262815  0.62547167  1
  O  O119  1  0.40937498  0.06735974  0.87453388  1
  O  O120  1  0.09062525  0.56737107  0.37453238  1
  O  O121  1  0.59062141  0.93264293  0.12546196  1
  O  O122  1  0.04947613  0.68235326  0.66769861  1
  O  O123  1  0.54947841  0.81763644  0.83230163  1
  O  O124  1  0.95051807  0.31764796  0.33229946  1
  O  O125  1  0.45051964  0.18236618  0.16769969  1
  O  O126  1  0.30609955  0.85392042  0.71782511  1
  O  O127  1  0.80610162  0.64607090  0.78217892  1
  O  O128  1  0.69389899  0.14607607  0.28217445  1
  O  O129  1  0.19389712  0.35393079  0.21782371  1
  O  O130  1  0.05637086  0.50890759  0.79898115  1
  O  O131  1  0.55636739  0.99108691  0.70102159  1
  O  O132  1  0.94363192  0.49109936  0.20102025  1
  O  O133  1  0.44363090  0.00890922  0.29897524  1
