# generated using pymatgen
data_V3Cr2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35739142
_cell_length_b   9.71136760
_cell_length_c   13.67453857
_cell_angle_alpha   103.32767643
_cell_angle_beta   90.00001014
_cell_angle_gamma   90.00013261
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Cr2H32C12(NO2)6
_chemical_formula_sum   'V6 Cr4 H64 C24 N12 O24'
_cell_volume   1209.17984140
_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
  V  V0  1  0.10402388  0.86391106  0.73317094  1
  V  V1  1  0.60402753  0.63608107  0.76682969  1
  V  V2  1  0.89597454  0.13608826  0.26682836  1
  V  V3  1  0.39597243  0.36392050  0.23317146  1
  Cr  Cr4  1  0.95668404  0.54953360  0.71963413  1
  Cr  Cr5  1  0.45668161  0.95045848  0.78036749  1
  Cr  Cr6  1  0.04331545  0.45046686  0.28036718  1
  Cr  Cr7  1  0.54331553  0.04954021  0.21963060  1
  V  V8  1  -0.00000018  1.00000003  0.99999953  1
  V  V9  1  0.50000066  0.50000014  0.50000089  1
  H  H10  1  0.19990080  0.19302762  0.08827372  1
  H  H11  1  0.69989740  0.30697037  0.41172422  1
  H  H12  1  0.80009964  0.80697267  0.91172527  1
  H  H13  1  0.30010422  0.69303049  0.58827769  1
  H  H14  1  0.28407729  0.10068750  0.98667356  1
  H  H15  1  0.78407696  0.39931017  0.51332188  1
  H  H16  1  0.71592217  0.89931170  0.01332557  1
  H  H17  1  0.21592344  0.60069025  0.48668070  1
  H  H18  1  0.57852160  0.37519790  0.86655729  1
  H  H19  1  0.07852529  0.12479331  0.63344312  1
  H  H20  1  0.42147777  0.62480360  0.13344330  1
  H  H21  1  0.92147381  0.87520700  0.36655577  1
  H  H22  1  0.54619182  0.20745786  0.88477029  1
  H  H23  1  0.04619168  0.29253212  0.61523224  1
  H  H24  1  0.45380686  0.79254260  0.11522892  1
  H  H25  1  0.95380835  0.70746886  0.38476823  1
  H  H26  1  0.77795899  0.03109183  0.84811624  1
  H  H27  1  0.27795848  0.46890441  0.65188622  1
  H  H28  1  0.22204044  0.96890885  0.15188249  1
  H  H29  1  0.72204218  0.53109491  0.34811598  1
  H  H30  1  0.93138961  0.10873883  0.80694068  1
  H  H31  1  0.43138968  0.39125780  0.69306098  1
  H  H32  1  0.06860928  0.89126242  0.19305775  1
  H  H33  1  0.56861041  0.60874013  0.30694085  1
  H  H34  1  0.21537801  0.32950484  0.96513190  1
  H  H35  1  0.71537752  0.17049361  0.53486518  1
  H  H36  1  0.78462262  0.67049449  0.03486654  1
  H  H37  1  0.28462351  0.82950619  0.46513602  1
  H  H38  1  0.15109710  0.18214134  0.87474411  1
  H  H39  1  0.65110169  0.31785684  0.62525406  1
  H  H40  1  0.84890275  0.81785759  0.12525498  1
  H  H41  1  0.34889882  0.68214261  0.37474735  1
  H  H42  1  0.57740468  0.36346509  0.04339265  1
  H  H43  1  0.07740758  0.13652714  0.45660886  1
  H  H44  1  0.42259522  0.63653384  0.95660758  1
  H  H45  1  0.92259282  0.86347602  0.54339026  1
  H  H46  1  0.73620670  0.43227348  0.00112740  1
  H  H47  1  0.23621092  0.06772303  0.49887392  1
  H  H48  1  0.26379265  0.56772617  0.99887276  1
  H  H49  1  0.76378802  0.93227791  0.50112476  1
  H  H50  1  0.79090192  0.25962828  0.10459168  1
  H  H51  1  0.29090023  0.24037167  0.39540995  1
  H  H52  1  0.20909886  0.74037089  0.89540761  1
  H  H53  1  0.70910198  0.75963023  0.60459099  1
  H  H54  1  0.68911331  0.12657248  0.02257581  1
  H  H55  1  0.18911081  0.37342432  0.47742815  1
  H  H56  1  0.31088752  0.87342691  0.97742324  1
  H  H57  1  0.81089152  0.62657787  0.52257284  1
  H  H58  1  0.80818463  0.33347087  0.81564404  1
  H  H59  1  0.30818719  0.16652527  0.68435818  1
  H  H60  1  0.19181391  0.66653053  0.18435592  1
  H  H61  1  0.69181195  0.83347146  0.31563977  1
  H  H62  1  0.70413458  0.19101098  0.74544666  1
  H  H63  1  0.20413554  0.30898389  0.75455490  1
  H  H64  1  0.29586406  0.80899097  0.25455265  1
  H  H65  1  0.79586475  0.69101119  0.24544554  1
  H  H66  1  0.98340662  0.35190451  0.05661300  1
  H  H67  1  0.48340411  0.14809357  0.44338787  1
  H  H68  1  0.01659383  0.64809564  0.94338562  1
  H  H69  1  0.51659694  0.85190743  0.55661279  1
  H  H70  1  0.96600347  0.36563740  0.92871968  1
  H  H71  1  0.46600486  0.13436291  0.57128197  1
  H  H72  1  0.03399695  0.63436252  0.07127873  1
  H  H73  1  0.53399529  0.86563640  0.42871863  1
  C  C74  1  0.83766994  0.13046216  0.85573964  1
  C  C75  1  0.33767004  0.36953415  0.64426220  1
  C  C76  1  0.16232913  0.86953840  0.14425954  1
  C  C77  1  0.66233035  0.63046481  0.35573928  1
  C  C78  1  0.14205568  0.23888771  0.95372701  1
  C  C79  1  0.64205625  0.26111067  0.54627129  1
  C  C80  1  0.85794444  0.76111170  0.04627169  1
  C  C81  1  0.35794445  0.73888900  0.45373024  1
  C  C82  1  0.67191860  0.33625264  0.99557366  1
  C  C83  1  0.17192108  0.16374262  0.50442798  1
  C  C84  1  0.32808099  0.66374679  0.00442623  1
  C  C85  1  0.82807896  0.83625916  0.49557150  1
  C  C86  1  0.75624386  0.22037039  0.02684225  1
  C  C87  1  0.25624304  0.27962733  0.47315982  1
  C  C88  1  0.24375640  0.77962881  0.97315641  1
  C  C89  1  0.74375831  0.72037482  0.52684141  1
  C  C90  1  0.74663006  0.23890025  0.82023689  1
  C  C91  1  0.24663142  0.26109447  0.67976472  1
  C  C92  1  0.25336887  0.76110079  0.17976283  1
  C  C93  1  0.75336861  0.73890294  0.32023481  1
  C  C94  1  0.99124448  0.29340841  0.97776646  1
  C  C95  1  0.49124426  0.20659117  0.52223434  1
  C  C96  1  0.00875568  0.70659190  0.02223228  1
  C  C97  1  0.50875654  0.79340890  0.47776689  1
  N  N98  1  0.88394187  0.17623659  0.96247388  1
  N  N99  1  0.38394129  0.32376215  0.53752762  1
  N  N100  1  0.11605854  0.82376348  0.03752489  1
  N  N101  1  0.61605983  0.67623827  0.46247402  1
  N  N102  1  0.18557214  0.13876051  0.01500129  1
  N  N103  1  0.68557035  0.36123771  0.48499575  1
  N  N104  1  0.81442738  0.86123970  0.98499811  1
  N  N105  1  0.31443007  0.63876230  0.51500584  1
  N  N106  1  0.62430117  0.28793432  0.88934253  1
  N  N107  1  0.12430342  0.21205807  0.61065924  1
  N  N108  1  0.37569781  0.71206617  0.11065757  1
  N  N109  1  0.87569633  0.78794250  0.38934027  1
  O  O110  1  0.05073785  0.91370784  0.85954893  1
  O  O111  1  0.55074313  0.58628887  0.64045120  1
  O  O112  1  0.94926178  0.08629231  0.14045063  1
  O  O113  1  0.44925762  0.41371107  0.35954989  1
  O  O114  1  0.04163994  0.98182907  0.67109135  1
  O  O115  1  0.54164005  0.51816133  0.82890626  1
  O  O116  1  0.95836067  0.01817160  0.32890859  1
  O  O117  1  0.45836070  0.48184084  0.17109565  1
  O  O118  1  0.92288930  0.41925023  0.61789025  1
  O  O119  1  0.42289125  0.08073740  0.88211532  1
  O  O120  1  0.07711039  0.58074787  0.38211312  1
  O  O121  1  0.57710689  0.91926488  0.11788128  1
  O  O122  1  0.03942768  0.69674453  0.67148015  1
  O  O123  1  0.53942965  0.80324777  0.82851912  1
  O  O124  1  0.96056640  0.30325676  0.32851870  1
  O  O125  1  0.46056881  0.19675376  0.17148106  1
  O  O126  1  0.29234153  0.85232758  0.72194454  1
  O  O127  1  0.79234524  0.64766437  0.77805731  1
  O  O128  1  0.70765639  0.14766756  0.27805447  1
  O  O129  1  0.20765464  0.35233793  0.22194456  1
  O  O130  1  0.05878619  0.51462988  0.80974933  1
  O  O131  1  0.55878117  0.98536740  0.69025216  1
  O  O132  1  0.94121765  0.48537668  0.19025172  1
  O  O133  1  0.44121858  0.01462715  0.30974561  1
