# generated using pymatgen
data_MnVFeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.92339044
_cell_length_b   10.92003832
_cell_length_c   10.89527946
_cell_angle_alpha   89.20426825
_cell_angle_beta   89.00967662
_cell_angle_gamma   63.54115092
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVFeH8C14(NO)6
_chemical_formula_sum   'Mn2 V2 Fe2 H16 C28 N12 O12'
_cell_volume   1163.29886325
_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
  Mn  Mn0  1  0.89816222  0.10160328  0.25550470  1
  Mn  Mn1  1  0.10183556  0.89840064  0.74449293  1
  V  V2  1  0.85654582  0.98516744  0.00034512  1
  Fe  Fe3  1  0.01334423  0.14225821  0.50409803  1
  V  V4  1  0.14345533  0.01482475  0.99965073  1
  Fe  Fe5  1  0.98665523  0.85774615  0.49590237  1
  H  H6  1  0.53773713  0.16824604  0.40758297  1
  H  H7  1  0.82721347  0.46209287  0.08882779  1
  H  H8  1  0.46226612  0.83174389  0.59242175  1
  H  H9  1  0.17279066  0.53791093  0.91116786  1
  H  H10  1  0.33418032  0.15628772  0.50584606  1
  H  H11  1  0.83762707  0.66454972  0.98712019  1
  H  H12  1  0.66581698  0.84370979  0.49415573  1
  H  H13  1  0.16238114  0.33545225  0.01287727  1
  H  H14  1  0.42430674  0.07924785  0.05143506  1
  H  H15  1  0.92901366  0.57498128  0.43963463  1
  H  H16  1  0.57569680  0.92074540  0.94856711  1
  H  H17  1  0.07097699  0.42502291  0.56036526  1
  H  H18  1  0.87444297  0.21279795  0.02463183  1
  H  H19  1  0.78731866  0.11960012  0.48270440  1
  H  H20  1  0.12555463  0.78719577  0.97536191  1
  H  H21  1  0.21268067  0.88040448  0.51729471  1
  C  C22  1  0.62121194  0.12146986  0.16959047  1
  C  C23  1  0.88358019  0.37752215  0.32601886  1
  C  C24  1  0.37879015  0.87852254  0.83041204  1
  C  C25  1  0.11641569  0.62248246  0.67397767  1
  C  C26  1  0.49583261  0.12088291  0.22421441  1
  C  C27  1  0.88052093  0.50424749  0.26966093  1
  C  C28  1  0.50416934  0.87911064  0.77578905  1
  C  C29  1  0.11947623  0.49575735  0.73033693  1
  C  C30  1  0.46828144  0.14547091  0.35203751  1
  C  C31  1  0.85176075  0.53155564  0.14269135  1
  C  C32  1  0.53172020  0.85452217  0.64796569  1
  C  C33  1  0.14824105  0.46844877  0.85730558  1
  C  C34  1  0.35602486  0.13879839  0.40800407  1
  C  C35  1  0.85638500  0.64389268  0.08490077  1
  C  C36  1  0.64397440  0.86119858  0.59199756  1
  C  C37  1  0.14362001  0.35611123  0.91509758  1
  C  C38  1  0.27136787  0.10658613  0.33338689  1
  C  C39  1  0.88962244  0.72911505  0.15745860  1
  C  C40  1  0.72863051  0.89341345  0.66661304  1
  C  C41  1  0.11037905  0.27089018  0.84254133  1
  C  C42  1  0.29688807  0.08412373  0.20680809  1
  C  C43  1  0.91938335  0.70201143  0.28266513  1
  C  C44  1  0.70311232  0.91587352  0.79319201  1
  C  C45  1  0.08061449  0.29799225  0.71733578  1
  C  C46  1  0.40745898  0.09360087  0.14986963  1
  C  C47  1  0.91062322  0.59190474  0.34170883  1
  C  C48  1  0.59254330  0.90639286  0.85013242  1
  C  C49  1  0.08937125  0.40810002  0.65829045  1
  N  N50  1  0.15996530  0.08361480  0.36160595  1
  N  N51  1  0.90874955  0.84276949  0.12998079  1
  N  N52  1  0.84002865  0.91639108  0.63839199  1
  N  N53  1  0.09126304  0.15723115  0.87002404  1
  N  N54  1  0.12355362  0.03968531  0.26212195  1
  N  N55  1  0.95952043  0.87669538  0.23067154  1
  N  N56  1  0.87644298  0.96031860  0.73787438  1
  N  N57  1  0.04048806  0.12330354  0.76933617  1
  N  N58  1  0.19813405  0.04839940  0.16442000  1
  N  N59  1  0.96094357  0.79626918  0.32344804  1
  N  N60  1  0.80186205  0.95160350  0.83557825  1
  N  N61  1  0.03905626  0.20373113  0.67655752  1
  O  O62  1  0.92687391  0.11722789  0.04956096  1
  O  O63  1  0.87919441  0.07205906  0.44830394  1
  O  O64  1  0.07312425  0.88276629  0.95043546  1
  O  O65  1  0.12080458  0.92794496  0.55169519  1
  O  O66  1  0.69084572  0.15742636  0.23888988  1
  O  O67  1  0.84839035  0.30720931  0.25549925  1
  O  O68  1  0.30915365  0.84257057  0.76111133  1
  O  O69  1  0.15160658  0.69279497  0.74449631  1
  O  O70  1  0.65392171  0.08286948  0.05698308  1
  O  O71  1  0.92440456  0.34629248  0.43642678  1
  O  O72  1  0.34608094  0.91711986  0.94302039  1
  O  O73  1  0.07559030  0.65371155  0.56357017  1
