# generated using pymatgen
data_MnVNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.89541972
_cell_length_b   10.89201096
_cell_length_c   10.86800187
_cell_angle_alpha   89.21765813
_cell_angle_beta   89.02762577
_cell_angle_gamma   63.65672013
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVNiH8C14(NO)6
_chemical_formula_sum   'Mn2 V2 Ni2 H16 C28 N12 O12'
_cell_volume   1155.60784671
_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  0.89686724  0.10212722  0.24203515  1
  Mn  Mn1  1  0.10313057  0.89787652  0.75796287  1
  Ni  Ni2  1  0.85987722  0.98085505  -0.00466985  1
  V  V3  1  0.01411458  0.14402671  0.49911261  1
  Ni  Ni4  1  0.14012424  0.01914193  1.00467053  1
  V  V5  1  0.98588264  0.85597760  0.50088781  1
  H  H6  1  0.53812137  0.16870740  0.41157469  1
  H  H7  1  0.83172971  0.46281206  0.08930466  1
  H  H8  1  0.46188233  0.83128246  0.58842962  1
  H  H9  1  0.16827462  0.53718894  0.91069232  1
  H  H10  1  0.33472949  0.15695672  0.51119470  1
  H  H11  1  0.84174047  0.66769361  0.99171130  1
  H  H12  1  0.66526916  0.84304073  0.48880656  1
  H  H13  1  0.15826765  0.33230607  0.00828590  1
  H  H14  1  0.42516719  0.07464796  0.05669728  1
  H  H15  1  0.92741373  0.57398415  0.44482358  1
  H  H16  1  0.57483251  0.92534721  0.94330529  1
  H  H17  1  0.07257795  0.42602140  0.55517639  1
  H  H18  1  0.87551871  0.20903040  0.01699037  1
  H  H19  1  0.78683304  0.12612521  0.47255152  1
  H  H20  1  0.12448328  0.79096759  0.98300561  1
  H  H21  1  0.21316542  0.87387914  0.52744597  1
  C  C22  1  0.62412321  0.11745851  0.17410868  1
  C  C23  1  0.88075819  0.37880245  0.32915277  1
  C  C24  1  0.37587876  0.88253398  0.82589424  1
  C  C25  1  0.11923687  0.62120170  0.67084509  1
  C  C26  1  0.49650864  0.11823851  0.22879051  1
  C  C27  1  0.88236778  0.50333887  0.27277756  1
  C  C28  1  0.50349309  0.88175487  0.77121252  1
  C  C29  1  0.11762943  0.49666501  0.72722100  1
  C  C30  1  0.46896275  0.14459894  0.35632420  1
  C  C31  1  0.85584443  0.53182680  0.14499028  1
  C  C32  1  0.53104000  0.85539323  0.64367888  1
  C  C33  1  0.14415812  0.46817486  0.85500739  1
  C  C34  1  0.35583795  0.13955767  0.41289429  1
  C  C35  1  0.86055575  0.64570624  0.08955021  1
  C  C36  1  0.64416233  0.86043821  0.58710717  1
  C  C37  1  0.13944909  0.35429420  0.91044767  1
  C  C38  1  0.26904550  0.11014010  0.33861105  1
  C  C39  1  0.89149888  0.73195903  0.16415856  1
  C  C40  1  0.73095306  0.88985879  0.66139006  1
  C  C41  1  0.10850642  0.26804060  0.83584011  1
  C  C42  1  0.29457180  0.08482592  0.21208480  1
  C  C43  1  0.91541286  0.70498464  0.29051755  1
  C  C44  1  0.70542818  0.91517086  0.78791682  1
  C  C45  1  0.08458681  0.29501828  0.70948195  1
  C  C46  1  0.40767896  0.09101331  0.15498809  1
  C  C47  1  0.91031540  0.59172365  0.34662789  1
  C  C48  1  0.59232228  0.90898138  0.84501421  1
  C  C49  1  0.08968027  0.40828094  0.65337193  1
  N  N50  1  0.15573839  0.08976623  0.36555573  1
  N  N51  1  0.91515343  0.84398277  0.13737345  1
  N  N52  1  0.84425631  0.91023889  0.63444343  1
  N  N53  1  0.08485486  0.15601482  0.86262473  1
  N  N54  1  0.12187574  0.04124144  0.26361413  1
  N  N55  1  0.96646717  0.87368915  0.23611141  1
  N  N56  1  0.87811716  0.95876647  0.73638484  1
  N  N57  1  0.03353801  0.12631041  0.76388794  1
  N  N58  1  0.19614763  0.04945306  0.16862092  1
  N  N59  1  0.95358774  0.80170718  0.33386691  1
  N  N60  1  0.80384887  0.95054997  0.83137888  1
  N  N61  1  0.04641338  0.19829499  0.66613260  1
  O  O62  1  0.92587713  0.11764775  0.05209763  1
  O  O63  1  0.88318533  0.07188865  0.44965721  1
  O  O64  1  0.07412368  0.88235092  0.94790012  1
  O  O65  1  0.11681308  0.92811513  0.55034045  1
  O  O66  1  0.69157939  0.15315712  0.24842462  1
  O  O67  1  0.84147138  0.30995130  0.26170940  1
  O  O68  1  0.30841997  0.84683931  0.75157865  1
  O  O69  1  0.15852426  0.69005346  0.73828845  1
  O  O70  1  0.65732074  0.07968490  0.06325949  1
  O  O71  1  0.92066739  0.34668232  0.44173609  1
  O  O72  1  0.34268287  0.92030658  0.93674449  1
  O  O73  1  0.07932667  0.65332235  0.55826247  1
