# generated using pymatgen
data_MnVNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.89772878
_cell_length_b   10.89004642
_cell_length_c   10.86807848
_cell_angle_alpha   89.22946297
_cell_angle_beta   89.01450090
_cell_angle_gamma   63.65574775
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVNiH8C14(NO)6
_chemical_formula_sum   'Mn2 V2 Ni2 H16 C28 N12 O12'
_cell_volume   1155.64083596
_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  0.89830779  0.10346526  0.25841365  1
  Mn  Mn1  1  0.10168869  0.89654023  0.74158444  1
  V  V2  1  0.85584138  0.98587144  0.00113930  1
  Ni  Ni3  1  0.01923076  0.14031496  0.50508558  1
  V  V4  1  0.14416181  0.01412640  0.99885988  1
  Ni  Ni5  1  0.98076533  0.85968938  0.49491413  1
  H  H6  1  0.53754242  0.16709572  0.41169950  1
  H  H7  1  0.83010390  0.46226389  0.08942612  1
  H  H8  1  0.46246133  0.83289415  0.58830418  1
  H  H9  1  0.16990074  0.53773654  0.91057140  1
  H  H10  1  0.33252054  0.15647998  0.50899210  1
  H  H11  1  0.84123698  0.66555296  0.98954394  1
  H  H12  1  0.66747832  0.84351744  0.49100838  1
  H  H13  1  0.15877103  0.33444653  0.01045304  1
  H  H14  1  0.42588696  0.07595788  0.05456321  1
  H  H15  1  0.92875539  0.57503034  0.44277171  1
  H  H16  1  0.57411469  0.92403637  0.94543885  1
  H  H17  1  0.07123579  0.42497500  0.55722918  1
  H  H18  1  0.87392986  0.21323070  0.02799186  1
  H  H19  1  0.79114041  0.12439544  0.48357557  1
  H  H20  1  0.12606862  0.78676849  0.97200374  1
  H  H21  1  0.20885711  0.87560909  0.51642275  1
  C  C22  1  0.62149629  0.11990260  0.17142451  1
  C  C23  1  0.88318123  0.37618079  0.32645506  1
  C  C24  1  0.37850608  0.88009020  0.82857940  1
  C  C25  1  0.11681358  0.62382450  0.67354316  1
  C  C26  1  0.49673179  0.11836895  0.22753409  1
  C  C27  1  0.88245430  0.50359449  0.27156037  1
  C  C28  1  0.50327019  0.88162428  0.77246889  1
  C  C29  1  0.11754323  0.49640947  0.72843806  1
  C  C30  1  0.46840720  0.14370163  0.35567257  1
  C  C31  1  0.85490628  0.53129903  0.14434359  1
  C  C32  1  0.53159518  0.85629074  0.64433022  1
  C  C33  1  0.14509666  0.46870259  0.85565374  1
  C  C34  1  0.35451834  0.13865275  0.41091401  1
  C  C35  1  0.85955474  0.64443310  0.08763444  1
  C  C36  1  0.64548185  0.86134307  0.58908695  1
  C  C37  1  0.14044978  0.35556770  0.91236278  1
  C  C38  1  0.26817544  0.10867338  0.33574593  1
  C  C39  1  0.88980703  0.73118787  0.16140936  1
  C  C40  1  0.73182294  0.89132562  0.66425477  1
  C  C41  1  0.11019719  0.26881239  0.83858950  1
  C  C42  1  0.29467961  0.08635655  0.20897380  1
  C  C43  1  0.91666766  0.70525265  0.28747593  1
  C  C44  1  0.70531989  0.91364147  0.79102706  1
  C  C45  1  0.08333163  0.29474963  0.71252386  1
  C  C46  1  0.40808673  0.09170764  0.15302377  1
  C  C47  1  0.91098748  0.59219744  0.34472006  1
  C  C48  1  0.59191491  0.90828682  0.84697854  1
  C  C49  1  0.08900851  0.40780668  0.65528021  1
  N  N50  1  0.15647970  0.08455525  0.36254468  1
  N  N51  1  0.90980029  0.84473156  0.13445067  1
  N  N52  1  0.84351557  0.91544851  0.63745493  1
  N  N53  1  0.09020864  0.15526587  0.86554820  1
  N  N54  1  0.12645729  0.03438403  0.26318081  1
  N  N55  1  0.95974367  0.87814244  0.23568515  1
  N  N56  1  0.87353716  0.96562141  0.73681816  1
  N  N57  1  0.04026566  0.12185346  0.76431418  1
  N  N58  1  0.19776472  0.04870755  0.16541012  1
  N  N59  1  0.95281223  0.80339076  0.33063043  1
  N  N60  1  0.80223142  0.95129618  0.83458946  1
  N  N61  1  0.04718927  0.19660931  0.66936969  1
  O  O62  1  0.92820125  0.11692060  0.05058433  1
  O  O63  1  0.88264740  0.07405666  0.44828628  1
  O  O64  1  0.07179870  0.88307970  0.94941413  1
  O  O65  1  0.11735008  0.92594755  0.55171208  1
  O  O66  1  0.69067716  0.15809099  0.23937129  1
  O  O67  1  0.84654549  0.30889944  0.25266871  1
  O  O68  1  0.30932121  0.84190913  0.76063111  1
  O  O69  1  0.15345035  0.69110467  0.74732913  1
  O  O70  1  0.65354207  0.08078169  0.05835164  1
  O  O71  1  0.92174106  0.34299547  0.43686923  1
  O  O72  1  0.34646244  0.91920775  0.94165366  1
  O  O73  1  0.07825208  0.65701062  0.56312922  1
