# generated using pymatgen
data_MnV2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88557433
_cell_length_b   10.88037309
_cell_length_c   10.90840915
_cell_angle_alpha   89.15603231
_cell_angle_beta   88.94870675
_cell_angle_gamma   63.71272766
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2H8C14(NO)6
_chemical_formula_sum   'Mn2 V4 H16 C28 N12 O12'
_cell_volume   1158.14529137
_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  0.90978439  0.09007180  0.25105969  1
  V  V1  1  0.09021388  0.90993016  0.74893991  1
  V  V2  1  0.85320045  0.98786283  -0.00378561  1
  Mn  Mn3  1  0.00404145  0.15239349  0.50930292  1
  V  V4  1  0.14680049  0.01213632  1.00378529  1
  Mn  Mn5  1  0.99595527  0.84761065  0.49069723  1
  H  H6  1  0.53623778  0.16960770  0.40993473  1
  H  H7  1  0.82569138  0.46018558  0.08373394  1
  H  H8  1  0.46376650  0.83038226  0.59006848  1
  H  H9  1  0.17431262  0.53981426  0.91626306  1
  H  H10  1  0.33366540  0.15443944  0.50633784  1
  H  H11  1  0.83669888  0.66133803  0.98032548  1
  H  H12  1  0.66633445  0.84555819  0.49366353  1
  H  H13  1  0.16330995  0.33865934  0.01967134  1
  H  H14  1  0.42497195  0.07957575  0.05331307  1
  H  H15  1  0.92894442  0.57740266  0.43156632  1
  H  H16  1  0.57503059  0.92041828  0.94668883  1
  H  H17  1  0.07104691  0.42260321  0.56843355  1
  H  H18  1  0.87625094  0.21215196  0.03361169  1
  H  H19  1  0.77961773  0.11573270  0.45227513  1
  H  H20  1  0.12374886  0.78784765  0.96638598  1
  H  H21  1  0.22037955  0.88427273  0.54772392  1
  C  C22  1  0.62375126  0.12052373  0.17149214  1
  C  C23  1  0.88341796  0.37672828  0.32276958  1
  C  C24  1  0.37624982  0.87947260  0.82850950  1
  C  C25  1  0.11657846  0.62327485  0.67722906  1
  C  C26  1  0.49771584  0.11975630  0.22614291  1
  C  C27  1  0.88022776  0.50306031  0.26388098  1
  C  C28  1  0.50228604  0.88023869  0.77385914  1
  C  C29  1  0.11977062  0.49694188  0.73611742  1
  C  C30  1  0.46893269  0.14415150  0.35369882  1
  C  C31  1  0.85143768  0.52954676  0.13689673  1
  C  C32  1  0.53106963  0.85584226  0.64630345  1
  C  C33  1  0.14856517  0.47045381  0.86310043  1
  C  C34  1  0.35639415  0.13619552  0.40885649  1
  C  C35  1  0.85604259  0.64206428  0.07802810  1
  C  C36  1  0.64360594  0.86380175  0.59114494  1
  C  C37  1  0.14396337  0.35793497  0.92196945  1
  C  C38  1  0.27134410  0.10319252  0.33470059  1
  C  C39  1  0.88941199  0.72950476  0.14838781  1
  C  C40  1  0.72865435  0.89680804  0.66529995  1
  C  C41  1  0.11059237  0.27049457  0.85160997  1
  C  C42  1  0.29650051  0.08346405  0.20794124  1
  C  C43  1  0.91804758  0.70427224  0.27375038  1
  C  C44  1  0.70349979  0.91653341  0.79205996  1
  C  C45  1  0.08195178  0.29572928  0.72624897  1
  C  C46  1  0.40832190  0.09294497  0.15172165  1
  C  C47  1  0.91017658  0.59314881  0.33381884  1
  C  C48  1  0.59167980  0.90705026  0.84828014  1
  C  C49  1  0.08981926  0.40685435  0.66618024  1
  N  N50  1  0.15876810  0.08288375  0.36392849  1
  N  N51  1  0.90503499  0.84574037  0.11989345  1
  N  N52  1  0.84122802  0.91712077  0.63607137  1
  N  N53  1  0.09497059  0.15425862  0.88010518  1
  N  N54  1  0.11117829  0.05340247  0.26179727  1
  N  N55  1  0.94511932  0.88886406  0.22345382  1
  N  N56  1  0.88881975  0.94659869  0.73820279  1
  N  N57  1  0.05488114  0.11113734  0.77654615  1
  N  N58  1  0.19444773  0.05351554  0.16400457  1
  N  N59  1  0.95449598  0.80153727  0.31536571  1
  N  N60  1  0.80555253  0.94648278  0.83599599  1
  N  N61  1  0.04550055  0.19846582  0.68463485  1
  O  O62  1  0.92782658  0.11583228  0.05809244  1
  O  O63  1  0.87813383  0.07100462  0.43432352  1
  O  O64  1  0.07217355  0.88416793  0.94190612  1
  O  O65  1  0.12186369  0.92899952  0.56567674  1
  O  O66  1  0.69994210  0.14891566  0.24223251  1
  O  O67  1  0.85598367  0.29756649  0.25371221  1
  O  O68  1  0.30005710  0.85108409  0.75776853  1
  O  O69  1  0.14401409  0.70243587  0.74628616  1
  O  O70  1  0.65129428  0.08989521  0.05762882  1
  O  O71  1  0.91686292  0.35281785  0.43505123  1
  O  O72  1  0.34870746  0.91009979  0.94237328  1
  O  O73  1  0.08313133  0.64718626  0.56494801  1
