# generated using pymatgen
data_Mn2VNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11737801
_cell_length_b   10.13531371
_cell_length_c   12.55697200
_cell_angle_alpha   90.02862862
_cell_angle_beta   89.99471301
_cell_angle_gamma   106.44831025
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VNiH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Ni1 H28 C28 N32'
_cell_volume   990.81065029
_cell_formula_units_Z   1
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  0.16528313  0.13758439  0.55931661  1
  Mn  Mn1  1  0.33859868  0.86779563  0.05172393  1
  V  V2  1  0.84479375  0.87585373  0.44705064  1
  Mn  Mn3  1  0.65911822  0.13428079  0.94436193  1
  H  H4  1  0.11233859  0.44660924  0.58064225  1
  H  H5  1  0.38387142  0.54999751  0.08026565  1
  H  H6  1  0.88686625  0.54917832  0.41847639  1
  H  H7  1  0.61383718  0.44982458  0.92049039  1
  H  H8  1  0.18561041  0.64748360  0.46134843  1
  H  H9  1  0.31115719  0.34979786  0.95991008  1
  H  H10  1  0.81207652  0.35032010  0.53816312  1
  H  H11  1  0.68787366  0.65025250  0.04102233  1
  H  H12  1  0.38643621  0.65317046  0.30521183  1
  H  H13  1  0.11074515  0.34533757  0.80330667  1
  H  H14  1  0.61095850  0.34651316  0.69460767  1
  H  H15  1  0.88944659  0.65513203  0.19604979  1
  H  H16  1  0.50139856  0.44904945  0.27903281  1
  H  H17  1  0.99724570  0.54954028  0.77771750  1
  H  H18  1  0.49873472  0.55138210  0.72026867  1
  H  H19  1  0.00353589  0.45073487  0.22166992  1
  H  H20  1  0.52641390  0.23170890  0.34540819  1
  H  H21  1  0.97227128  0.76906882  0.84433238  1
  H  H22  1  0.47545522  0.77150090  0.65311695  1
  H  H23  1  0.02721365  0.23230963  0.15495416  1
  H  H24  1  0.49864093  0.00469232  0.37707433  1
  H  H25  1  0.99921684  0.99609104  0.87714019  1
  H  H26  1  0.50210373  0.99658657  0.62215590  1
  H  H27  1  0.00064066  0.00455645  0.12225360  1
  H  H28  1  0.33175481  0.90238668  0.45898155  1
  H  H29  1  0.16931577  0.09697114  0.95747006  1
  H  H30  1  0.66907264  0.09952465  0.54077968  1
  H  H31  1  0.83102083  0.90381808  0.04174843  1
  C  C32  1  0.19356185  0.44655532  0.51143936  1
  C  C33  1  0.30428415  0.55034006  0.01031175  1
  C  C34  1  0.80818683  0.55169025  0.48869624  1
  C  C35  1  0.69428792  0.44965187  0.99006246  1
  C  C36  1  0.23753565  0.56163086  0.44450819  1
  C  C37  1  0.25970087  0.43588051  0.94323172  1
  C  C38  1  0.76191366  0.43706591  0.55525526  1
  C  C39  1  0.73968164  0.56420457  0.05710365  1
  C  C40  1  0.34895901  0.56508288  0.35869804  1
  C  C41  1  0.14878928  0.43329459  0.85705332  1
  C  C42  1  0.65050505  0.43476597  0.64131138  1
  C  C43  1  0.85142137  0.56687558  0.14278571  1
  C  C44  1  0.41401225  0.45416433  0.34382760  1
  C  C45  1  0.08465371  0.54472283  0.84247184  1
  C  C46  1  0.58726423  0.54656010  0.65612701  1
  C  C47  1  0.91582960  0.45554731  0.15711342  1
  C  C48  1  0.36137345  0.34071363  0.41328744  1
  C  C49  1  0.13766530  0.65817029  0.91191188  1
  C  C50  1  0.64209431  0.66069228  0.58726018  1
  C  C51  1  0.86194147  0.34213696  0.08773571  1
  C  C52  1  0.42355220  0.22186858  0.40370738  1
  C  C53  1  0.07548678  0.77657157  0.90235652  1
  C  C54  1  0.57950514  0.77849599  0.59585048  1
  C  C55  1  0.92399188  0.22363218  0.09679760  1
  C  C56  1  0.43463236  -0.00092051  0.45489935  1
  C  C57  1  0.06461818  1.00114865  0.95441242  1
  C  C58  1  0.56588709  1.00285324  0.54425338  1
  C  C59  1  0.93540243  -0.00018315  0.04490995  1
  N  N60  1  0.24854326  0.33480033  0.49508847  1
  N  N61  1  0.25201761  0.66370169  0.99345304  1
  N  N62  1  0.75820685  0.66609778  0.50643524  1
  N  N63  1  0.74688348  0.33643223  0.00664004  1
  N  N64  1  0.35671170  0.11333603  0.46060792  1
  N  N65  1  0.14097362  0.88602026  0.95973134  1
  N  N66  1  0.64422642  0.88867219  0.53781250  1
  N  N67  1  0.85845570  0.11476772  0.03895474  1
  N  N68  1  0.01580679  0.91086894  0.57189688  1
  N  N69  1  0.46697041  0.08468687  0.07329824  1
  N  N70  1  0.96497034  0.07856089  0.42622139  1
  N  N71  1  0.53331286  0.91530964  0.92601447  1
  N  N72  1  0.08327035  0.82970238  0.61124174  1
  N  N73  1  0.40714271  0.16899092  0.11461330  1
  N  N74  1  0.90798065  0.16568447  0.38612279  1
  N  N75  1  0.59317590  0.83080244  0.88515348  1
  N  N76  1  0.15437897  0.75493266  0.64642561  1
  N  N77  1  0.34573379  0.25068493  0.14939021  1
  N  N78  1  0.84987618  0.24946220  0.35257493  1
  N  N79  1  0.65404174  0.74850211  0.85082995  1
  N  N80  1  0.97034495  0.19766674  0.64783400  1
  N  N81  1  0.54250573  0.80440962  0.15642221  1
  N  N82  1  0.02340852  0.80341306  0.35374857  1
  N  N83  1  0.46712564  0.19729506  0.84406944  1
  N  N84  1  0.88166241  0.15656603  0.72290974  1
  N  N85  1  0.63066905  0.84121804  0.23138911  1
  N  N86  1  0.11720994  0.84234496  0.27970066  1
  N  N87  1  0.37588798  0.16101671  0.76905261  1
  N  N88  1  0.78530775  0.11650991  0.79419055  1
  N  N89  1  0.72041902  0.87047677  0.30744432  1
  N  N90  1  0.21367267  0.87688625  0.20850911  1
  N  N91  1  0.27932982  0.11793043  0.69880500  1
