# generated using pymatgen
data_MnVNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.89297650
_cell_length_b   10.88207882
_cell_length_c   10.89260011
_cell_angle_alpha   89.16979330
_cell_angle_beta   88.98883439
_cell_angle_gamma   63.67610390
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVNiH8C14(NO)6
_chemical_formula_sum   'Mn2 V2 Ni2 H16 C28 N12 O12'
_cell_volume   1157.08297879
_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
  Ni  Ni0  1  0.90730193  0.09534892  0.24919867  1
  Ni  Ni1  1  0.09269515  0.90465538  0.75080006  1
  Mn  Mn2  1  0.85194158  0.99846677  -0.00591453  1
  V  V3  1  0.01228684  0.14485488  0.50054688  1
  Mn  Mn4  1  0.14806027  0.00153170  1.00591329  1
  V  V5  1  0.98770934  0.85515001  0.49945326  1
  H  H6  1  0.54147298  0.17145976  0.41652992  1
  H  H7  1  0.83036319  0.46184060  0.09257518  1
  H  H8  1  0.45853040  0.82853061  0.58347374  1
  H  H9  1  0.16964068  0.53816012  0.90742247  1
  H  H10  1  0.33880660  0.16014702  0.51896158  1
  H  H11  1  0.84343800  0.66557394  0.99480662  1
  H  H12  1  0.66119226  0.83985019  0.48104061  1
  H  H13  1  0.15657032  0.33442404  0.00518968  1
  H  H14  1  0.42503635  0.07493184  0.06492924  1
  H  H15  1  0.92304593  0.57485900  0.44762273  1
  H  H16  1  0.57496560  0.92506298  0.93507319  1
  H  H17  1  0.07694462  0.42514764  0.55237753  1
  H  H18  1  0.88701772  0.21891675  0.05390912  1
  H  H19  1  0.78820158  0.12415815  0.45808043  1
  H  H20  1  0.11298150  0.78108369  0.94608793  1
  H  H21  1  0.21179394  0.87584696  0.54191543  1
  C  C22  1  0.62610759  0.11708964  0.17820500  1
  C  C23  1  0.88137808  0.37484108  0.32967833  1
  C  C24  1  0.37389468  0.88290276  0.82179775  1
  C  C25  1  0.11861797  0.62516288  0.67031948  1
  C  C26  1  0.49831477  0.12067296  0.23530176  1
  C  C27  1  0.88131478  0.50161441  0.27520642  1
  C  C28  1  0.50168721  0.87932038  0.76470141  1
  C  C29  1  0.11868333  0.49838940  0.72479203  1
  C  C30  1  0.47137828  0.14772819  0.36259129  1
  C  C31  1  0.85534948  0.53032116  0.14794963  1
  C  C32  1  0.52862366  0.85226479  0.63741147  1
  C  C33  1  0.14465306  0.46968014  0.85204793  1
  C  C34  1  0.35861741  0.14272164  0.42080080  1
  C  C35  1  0.86225308  0.64313576  0.09231008  1
  C  C36  1  0.64138190  0.85727516  0.57920233  1
  C  C37  1  0.13775249  0.35686407  0.90768662  1
  C  C38  1  0.27204832  0.11126091  0.34861782  1
  C  C39  1  0.89579264  0.72790453  0.16636110  1
  C  C40  1  0.72795009  0.88873924  0.65138270  1
  C  C41  1  0.10421327  0.27209416  0.83363763  1
  C  C42  1  0.29744037  0.08479454  0.22251161  1
  C  C43  1  0.91826238  0.70215135  0.29261106  1
  C  C44  1  0.70255905  0.91520430  0.77748945  1
  C  C45  1  0.08173639  0.29785118  0.70738872  1
  C  C46  1  0.40876015  0.09264067  0.16317830  1
  C  C47  1  0.90896856  0.59075501  0.34931147  1
  C  C48  1  0.59124131  0.90735479  0.83682329  1
  C  C49  1  0.09102697  0.40924914  0.65068816  1
  N  N50  1  0.15719213  0.09270632  0.37565273  1
  N  N51  1  0.91747039  0.83990324  0.13791646  1
  N  N52  1  0.84280402  0.90729729  0.62434658  1
  N  N53  1  0.08254032  0.16009311  0.86208197  1
  N  N54  1  0.11710554  0.05169681  0.27233740  1
  N  N55  1  0.95466757  0.88180313  0.23781010  1
  N  N56  1  0.88289064  0.94830744  0.72766202  1
  N  N57  1  0.04533795  0.11819520  0.76218986  1
  N  N58  1  0.20110294  0.04688530  0.18079747  1
  N  N59  1  0.95242136  0.80263324  0.33507134  1
  N  N60  1  0.79889334  0.95311887  0.81920206  1
  N  N61  1  0.04757715  0.19736921  0.66492911  1
  O  O62  1  0.93385743  0.12014942  0.06709166  1
  O  O63  1  0.88665603  0.07046628  0.44383477  1
  O  O64  1  0.06614248  0.87985143  0.93290702  1
  O  O65  1  0.11334017  0.92953856  0.55616399  1
  O  O66  1  0.70290640  0.14419998  0.24823339  1
  O  O67  1  0.84874808  0.30169651  0.26096070  1
  O  O68  1  0.29709393  0.85579692  0.75176898  1
  O  O69  1  0.15124779  0.69830720  0.73903747  1
  O  O70  1  0.65016354  0.08355698  0.06505464  1
  O  O71  1  0.91681041  0.34595439  0.44331756  1
  O  O72  1  0.34984164  0.91643119  0.93494986  1
  O  O73  1  0.08318522  0.65404963  0.55668057  1
