# generated using pymatgen
data_Mn2VNi2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35581896
_cell_length_b   9.71775764
_cell_length_c   13.64878677
_cell_angle_alpha   103.51086840
_cell_angle_beta   90.00001253
_cell_angle_gamma   90.00014470
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VNi2H32C12(NO2)6
_chemical_formula_sum   'Mn4 V2 Ni4 H64 C24 N12 O24'
_cell_volume   1206.57313601
_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  0.09360466  0.85550635  0.73329986  1
  Ni  Ni1  1  0.59362511  0.64446553  0.76670957  1
  Ni  Ni2  1  0.90638739  0.14448537  0.26670242  1
  Ni  Ni3  1  0.40637946  0.35553423  0.23329276  1
  Mn  Mn4  1  0.94681732  0.55704173  0.72454303  1
  Mn  Mn5  1  0.44681262  0.94295124  0.77545880  1
  Mn  Mn6  1  0.05318353  0.44295765  0.27545488  1
  Mn  Mn7  1  0.55318419  0.05704755  0.22453740  1
  V  V8  1  -0.00000498  1.00000394  1.00001515  1
  V  V9  1  0.50000499  0.50000276  0.50001470  1
  H  H10  1  0.19092257  0.20067932  0.09459717  1
  H  H11  1  0.69091965  0.29931825  0.40540123  1
  H  H12  1  0.80907791  0.79932107  0.90540233  1
  H  H13  1  0.30908196  0.70068142  0.59460035  1
  H  H14  1  0.27842582  0.10225473  0.99565002  1
  H  H15  1  0.77842285  0.39774359  0.50434444  1
  H  H16  1  0.72157845  0.89774345  0.00434861  1
  H  H17  1  0.22157383  0.60225539  0.49565823  1
  H  H18  1  0.52933215  0.46605759  0.87577025  1
  H  H19  1  0.02934361  0.03392693  0.62422853  1
  H  H20  1  0.47067102  0.53394671  0.12423430  1
  H  H21  1  0.97065765  0.96607258  0.37577348  1
  H  H22  1  0.53942801  0.22345807  0.89444721  1
  H  H23  1  0.03942293  0.27653581  0.60555035  1
  H  H24  1  0.46057279  0.77654733  0.10555176  1
  H  H25  1  0.96057574  0.72346595  0.39444968  1
  H  H26  1  0.77082342  0.03611767  0.85090315  1
  H  H27  1  0.27081180  0.46387784  0.64909862  1
  H  H28  1  0.22917465  0.96388161  0.14909531  1
  H  H29  1  0.72919521  0.53612147  0.35090519  1
  H  H30  1  0.92059133  0.11237408  0.80532940  1
  H  H31  1  0.42057722  0.38763412  0.69467862  1
  H  H32  1  0.07940920  0.88762737  0.19466924  1
  H  H33  1  0.57942620  0.61235758  0.30532209  1
  H  H34  1  0.21667817  0.32968040  0.96673814  1
  H  H35  1  0.71667850  0.17032502  0.53326438  1
  H  H36  1  0.78332244  0.67032152  0.03326205  1
  H  H37  1  0.28332075  0.82967401  0.46673687  1
  H  H38  1  0.15447715  0.17956681  0.87708206  1
  H  H39  1  0.65448694  0.32044014  0.62292002  1
  H  H40  1  0.84552207  0.82043326  0.12291799  1
  H  H41  1  0.34551150  0.67955545  0.37708074  1
  H  H42  1  0.57984760  0.39059753  0.07140416  1
  H  H43  1  0.07984493  0.10939666  0.42859969  1
  H  H44  1  0.42015486  0.60939815  0.92859645  1
  H  H45  1  0.92015495  0.89060171  0.57140000  1
  H  H46  1  0.74322644  0.43575599  0.00416993  1
  H  H47  1  0.24323154  0.06424133  0.49582390  1
  H  H48  1  0.25677352  0.56424169  0.99582764  1
  H  H49  1  0.75676725  0.93575819  0.50417434  1
  H  H50  1  0.79734575  0.26577854  0.10800046  1
  H  H51  1  0.29735127  0.23422803  0.39200667  1
  H  H52  1  0.20265497  0.73421977  0.89200046  1
  H  H53  1  0.70264875  0.76577360  0.60799448  1
  H  H54  1  0.68948779  0.13478448  0.02967225  1
  H  H55  1  0.18948849  0.36521637  0.47032965  1
  H  H56  1  0.31051258  0.86521492  0.97032666  1
  H  H57  1  0.81051115  0.63478602  0.52967370  1
  H  H58  1  0.79532586  0.33531709  0.81582438  1
  H  H59  1  0.29532722  0.16467951  0.68418097  1
  H  H60  1  0.20467056  0.66468267  0.18417650  1
  H  H61  1  0.70467207  0.83531667  0.31581834  1
  H  H62  1  0.68604401  0.19264536  0.75354686  1
  H  H63  1  0.18603336  0.30735449  0.74645688  1
  H  H64  1  0.31395447  0.80735892  0.24645353  1
  H  H65  1  0.81396719  0.69264345  0.25354357  1
  H  H66  1  0.98376210  0.35943947  0.05474995  1
  H  H67  1  0.48375957  0.14056992  0.44526253  1
  H  H68  1  0.01623803  0.64056221  0.94524942  1
  H  H69  1  0.51624019  0.85943072  0.55473592  1
  H  H70  1  0.96776420  0.36405979  0.92373664  1
  H  H71  1  0.46776988  0.13594756  0.57627464  1
  H  H72  1  0.03223453  0.63594020  0.07626192  1
  H  H73  1  0.53223084  0.86404841  0.42372255  1
  C  C74  1  0.83017943  0.13515152  0.85742078  1
  C  C75  1  0.33017072  0.36485657  0.64258596  1
  C  C76  1  0.16981982  0.86485120  0.14258092  1
  C  C77  1  0.66983089  0.63513865  0.35741611  1
  C  C78  1  0.14231869  0.23984428  0.95515627  1
  C  C79  1  0.64232489  0.26016027  0.54484537  1
  C  C80  1  0.85768105  0.76015383  0.04484132  1
  C  C81  1  0.35767414  0.73983517  0.45515404  1
  C  C82  1  0.67610002  0.34197999  0.99923975  1
  C  C83  1  0.17610604  0.15801693  0.50076017  1
  C  C84  1  0.32389840  0.65801776  0.00076047  1
  C  C85  1  0.82389301  0.84198246  0.49923990  1
  C  C86  1  0.75853941  0.22656157  0.03121033  1
  C  C87  1  0.25854420  0.27343999  0.46879600  1
  C  C88  1  0.24145804  0.77343800  0.96879088  1
  C  C89  1  0.74145805  0.72656060  0.53120616  1
  C  C90  1  0.73254074  0.24432853  0.82646958  1
  C  C91  1  0.23253958  0.25567140  0.67353572  1
  C  C92  1  0.26745552  0.75567629  0.17353164  1
  C  C93  1  0.76746200  0.74432945  0.32646479  1
  C  C94  1  0.99112769  0.29649806  0.97627116  1
  C  C95  1  0.49112933  0.20350814  0.52373732  1
  C  C96  1  0.00887122  0.70350126  0.02372745  1
  C  C97  1  0.50887125  0.79648966  0.47626285  1
  N  N98  1  0.88283001  0.17985635  0.96317208  1
  N  N99  1  0.38282869  0.32014825  0.53683042  1
  N  N100  1  0.11717056  0.82014233  0.03682332  1
  N  N101  1  0.61717119  0.67984845  0.46316698  1
  N  N102  1  0.18035614  0.14405267  0.02071593  1
  N  N103  1  0.68035972  0.35595181  0.47928357  1
  N  N104  1  0.81963961  0.85595238  0.97928456  1
  N  N105  1  0.31964316  0.64405012  0.52071743  1
  N  N106  1  0.61900785  0.29855620  0.89943436  1
  N  N107  1  0.11900733  0.20144009  0.60056700  1
  N  N108  1  0.38099198  0.70144851  0.10056726  1
  N  N109  1  0.88099145  0.79856118  0.39943432  1
  O  O110  1  0.04503635  0.93831546  0.87178983  1
  O  O111  1  0.54503442  0.56169460  0.62820070  1
  O  O112  1  0.95496786  0.06168706  0.12819881  1
  O  O113  1  0.45496264  0.43830593  0.37179206  1
  O  O114  1  -0.01578535  0.94854312  0.63887406  1
  O  O115  1  0.48419872  0.55143856  0.86112046  1
  O  O116  1  1.01578616  0.05145748  0.36112732  1
  O  O117  1  0.51580629  0.44856703  0.13888301  1
  O  O118  1  0.89865290  0.41747734  0.63447507  1
  O  O119  1  0.39864920  0.08251315  0.86553540  1
  O  O120  1  0.10135175  0.58252271  0.36552785  1
  O  O121  1  0.60134306  0.91748968  0.13446186  1
  O  O122  1  0.05424273  0.66020651  0.66926245  1
  O  O123  1  0.55422495  0.83977159  0.83072536  1
  O  O124  1  0.94576018  0.33979115  0.33072787  1
  O  O125  1  0.44576925  0.16023020  0.16926854  1
  O  O126  1  0.30076228  0.84271933  0.72513656  1
  O  O127  1  0.80077492  0.65728951  0.77485725  1
  O  O128  1  0.69923131  0.15728022  0.27486045  1
  O  O129  1  0.19922837  0.34271161  0.22514057  1
  O  O130  1  0.03391574  0.51112783  0.81819289  1
  O  O131  1  0.53391628  0.98888761  0.68181978  1
  O  O132  1  0.96609257  0.48888264  0.18180676  1
  O  O133  1  0.46607611  0.01111583  0.31817689  1
