# generated using pymatgen
data_Mn2VH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.96173472
_cell_length_b   10.96687480
_cell_length_c   10.93959161
_cell_angle_alpha   89.14670225
_cell_angle_beta   88.94669167
_cell_angle_gamma   63.36306076
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VH8C14(NO)6
_chemical_formula_sum   'Mn4 V2 H16 C28 N12 O12'
_cell_volume   1175.30336823
_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  0.89491507  0.10133387  0.25165101  1
  Mn  Mn1  1  0.10508365  0.89866943  0.74834776  1
  V  V2  1  0.85655648  0.98566471  -0.00183015  1
  Mn  Mn3  1  0.00333153  0.14757122  0.50713500  1
  V  V4  1  0.14344383  0.01433570  1.00182999  1
  Mn  Mn5  1  0.99666675  0.85243226  0.49286503  1
  H  H6  1  0.53627369  0.17172095  0.40143042  1
  H  H7  1  0.82299352  0.46102305  0.08903192  1
  H  H8  1  0.46373001  0.82826973  0.59857240  1
  H  H9  1  0.17701083  0.53897630  0.91096524  1
  H  H10  1  0.33649656  0.15595757  0.50196868  1
  H  H11  1  0.83179519  0.66130153  0.98387887  1
  H  H12  1  0.66350325  0.84404003  0.49803225  1
  H  H13  1  0.16821357  0.33869556  0.01611831  1
  H  H14  1  0.42096427  0.08186980  0.04875842  1
  H  H15  1  0.93232109  0.57565560  0.43340585  1
  H  H16  1  0.57903897  0.91812336  0.95124303  1
  H  H17  1  0.06767094  0.42434936  0.56659424  1
  H  H18  1  0.87498490  0.21230275  0.02024937  1
  H  H19  1  0.78172046  0.10728318  0.47404126  1
  H  H20  1  0.12501590  0.78769751  0.97974798  1
  H  H21  1  0.21827775  0.89272006  0.52595765  1
  C  C22  1  0.61895367  0.12363898  0.16467320  1
  C  C23  1  0.88473273  0.37768473  0.32574092  1
  C  C24  1  0.38104745  0.87635758  0.83532890  1
  C  C25  1  0.11526329  0.62231870  0.67425850  1
  C  C26  1  0.49433768  0.12231617  0.21992809  1
  C  C27  1  0.88083827  0.50324933  0.26683942  1
  C  C28  1  0.50566439  0.87767811  0.78007359  1
  C  C29  1  0.11916011  0.49675287  0.73315915  1
  C  C30  1  0.46796906  0.14678255  0.34729749  1
  C  C31  1  0.84941026  0.52992612  0.14073163  1
  C  C32  1  0.53203348  0.85321103  0.65270476  1
  C  C33  1  0.15059261  0.47007345  0.85926602  1
  C  C34  1  0.35777190  0.13832107  0.40455858  1
  C  C35  1  0.85251884  0.64168708  0.08101992  1
  C  C36  1  0.64222813  0.86167606  0.59544326  1
  C  C37  1  0.14748641  0.35831176  0.91897709  1
  C  C38  1  0.27333863  0.10504171  0.33161625  1
  C  C39  1  0.88666860  0.72743953  0.15084357  1
  C  C40  1  0.72665965  0.89495843  0.66838436  1
  C  C41  1  0.11333534  0.27256012  0.84915528  1
  C  C42  1  0.29602729  0.08543903  0.20499412  1
  C  C43  1  0.92013845  0.70012282  0.27494105  1
  C  C44  1  0.70397330  0.91455865  0.79500630  1
  C  C45  1  0.07986119  0.29987838  0.72505843  1
  C  C46  1  0.40552943  0.09522020  0.14692391  1
  C  C47  1  0.91235493  0.59109703  0.33614491  1
  C  C48  1  0.59447286  0.90477453  0.85307903  1
  C  C49  1  0.08764165  0.40890598  0.66385457  1
  N  N50  1  0.16505936  0.07912760  0.36236781  1
  N  N51  1  0.90545323  0.84083403  0.12193369  1
  N  N52  1  0.83493583  0.92087753  0.63763203  1
  N  N53  1  0.09455068  0.15916490  0.87806547  1
  N  N54  1  0.12470986  0.03980717  0.26367464  1
  N  N55  1  0.95750355  0.87469473  0.22191298  1
  N  N56  1  0.87528689  0.96019601  0.73632498  1
  N  N57  1  0.04249778  0.12530600  0.77808702  1
  N  N58  1  0.19673831  0.04966189  0.16460025  1
  N  N59  1  0.96401327  0.79238092  0.31376590  1
  N  N60  1  0.80326034  0.95033838  0.83540011  1
  N  N61  1  0.03598476  0.20762106  0.68623468  1
  O  O62  1  0.92521215  0.11818038  0.04939678  1
  O  O63  1  0.87489572  0.06790416  0.44181258  1
  O  O64  1  0.07478796  0.88182043  0.95060100  1
  O  O65  1  0.12510220  0.93209915  0.55818651  1
  O  O66  1  0.68726562  0.16186136  0.23268947  1
  O  O67  1  0.84904836  0.30601880  0.25851013  1
  O  O68  1  0.31273411  0.83813662  0.76731173  1
  O  O69  1  0.15094727  0.69398513  0.74148853  1
  O  O70  1  0.65246682  0.08344655  0.05325788  1
  O  O71  1  0.92689238  0.34845564  0.43561444  1
  O  O72  1  0.34753424  0.91655050  0.94674378  1
  O  O73  1  0.07310196  0.65154830  0.56438522  1
