# generated using pymatgen
data_Mn2VCrH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11878761
_cell_length_b   10.13693201
_cell_length_c   12.55788588
_cell_angle_alpha   90.02670023
_cell_angle_beta   89.99610967
_cell_angle_gamma   106.46452429
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VCrH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Cr1 H28 C28 N32'
_cell_volume   991.13023287
_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
  V  V0  1  0.15824863  0.12794445  0.55338321  1
  Mn  Mn1  1  0.33905364  0.86746779  0.05100407  1
  Cr  Cr2  1  0.84912592  0.87216925  0.44625896  1
  Mn  Mn3  1  0.66470134  0.13210292  0.95060629  1
  H  H4  1  0.11030729  0.44637886  0.58212079  1
  H  H5  1  0.38434837  0.55039129  0.08112664  1
  H  H6  1  0.88687017  0.55118643  0.41700025  1
  H  H7  1  0.61401437  0.44848755  0.91996449  1
  H  H8  1  0.18417471  0.64683968  0.46226438  1
  H  H9  1  0.31144332  0.35048436  0.96071104  1
  H  H10  1  0.81375579  0.35268559  0.53693037  1
  H  H11  1  0.68694822  0.64880110  0.03982560  1
  H  H12  1  0.38560527  0.65205867  0.30638734  1
  H  H13  1  0.11122410  0.34550367  0.80492735  1
  H  H14  1  0.61424505  0.34873374  0.69383134  1
  H  H15  1  0.89004754  0.65500402  0.19496244  1
  H  H16  1  0.49950811  0.44814995  0.27990510  1
  H  H17  1  0.99805932  0.55000727  0.77815749  1
  H  H18  1  0.50137427  0.55300997  0.72040969  1
  H  H19  1  0.00327144  0.45117923  0.22151320  1
  H  H20  1  0.52538868  0.22919739  0.34727689  1
  H  H21  1  0.97079086  0.76770588  0.84644854  1
  H  H22  1  0.47465656  0.77142518  0.65282196  1
  H  H23  1  0.03091502  0.23237628  0.15368998  1
  H  H24  1  0.49634408  0.00168153  0.37736738  1
  H  H25  1  1.00185928  0.99812183  0.87786301  1
  H  H26  1  0.50383404  0.99823385  0.62277794  1
  H  H27  1  -0.00061388  0.00257005  0.12298174  1
  H  H28  1  0.33188386  0.89884290  0.46061815  1
  H  H29  1  0.17054505  0.09778455  0.96020202  1
  H  H30  1  0.66826045  0.10145180  0.53982366  1
  H  H31  1  0.83066151  0.90211228  0.04094874  1
  C  C32  1  0.18924745  0.44580739  0.51178719  1
  C  C33  1  0.30553543  0.55128452  0.01089263  1
  C  C34  1  0.80760099  0.55332036  0.48696130  1
  C  C35  1  0.69360886  0.44804171  0.98989872  1
  C  C36  1  0.23515429  0.56053323  0.44523480  1
  C  C37  1  0.26046886  0.43678422  0.94397462  1
  C  C38  1  0.76281441  0.43902345  0.55389382  1
  C  C39  1  0.73869858  0.56287416  0.05648359  1
  C  C40  1  0.34677403  0.56349884  0.35923467  1
  C  C41  1  0.14950827  0.43411554  0.85783748  1
  C  C42  1  0.65206810  0.43664764  0.64025802  1
  C  C43  1  0.85074411  0.56627970  0.14216475  1
  C  C44  1  0.41104121  0.45240363  0.34418729  1
  C  C45  1  0.08540090  0.54545051  0.84298269  1
  C  C46  1  0.58794346  0.54795966  0.65522809  1
  C  C47  1  0.91515615  0.45508006  0.15697931  1
  C  C48  1  0.35652225  0.33817765  0.41268298  1
  C  C49  1  0.13875517  0.65893694  0.91228627  1
  C  C50  1  0.64094101  0.66151691  0.58592829  1
  C  C51  1  0.86164697  0.34108723  0.08814731  1
  C  C52  1  0.42001429  0.22099750  0.40367385  1
  C  C53  1  0.07598038  0.77698578  0.90327119  1
  C  C54  1  0.57961222  0.78020766  0.59583191  1
  C  C55  1  0.92511568  0.22342245  0.09739545  1
  C  C56  1  0.43384813  -0.00377219  0.45564400  1
  C  C57  1  0.06586494  1.00206177  0.95551282  1
  C  C58  1  0.56712912  1.00366199  0.54468778  1
  C  C59  1  0.93513720  -0.00205845  0.04537889  1
  N  N60  1  0.23919210  0.33120564  0.49328208  1
  N  N61  1  0.25382491  0.66488998  0.99349560  1
  N  N62  1  0.75538325  0.66691472  0.50411338  1
  N  N63  1  0.74601844  0.33477267  0.00715591  1
  N  N64  1  0.35314973  0.10937694  0.45987673  1
  N  N65  1  0.14303221  0.88731656  0.95937343  1
  N  N66  1  0.64897994  0.89114707  0.54031910  1
  N  N67  1  0.85822555  0.11250886  0.04183376  1
  N  N68  1  0.02616307  0.91884246  0.56868460  1
  N  N69  1  0.46492985  0.08402355  0.07455333  1
  N  N70  1  0.97670015  0.08145846  0.42860352  1
  N  N71  1  0.53662137  0.91624392  0.92625708  1
  N  N72  1  0.08647464  0.83523214  0.61298545  1
  N  N73  1  0.40432511  0.16768816  0.11596820  1
  N  N74  1  0.91286399  0.16415862  0.38631903  1
  N  N75  1  0.59600010  0.83187001  0.88466837  1
  N  N76  1  0.14907884  0.75647120  0.64966213  1
  N  N77  1  0.34292088  0.24939136  0.15080006  1
  N  N78  1  0.84698551  0.24191188  0.35129953  1
  N  N79  1  0.65729914  0.75026504  0.84964219  1
  N  N80  1  0.97474841  0.19463654  0.64611499  1
  N  N81  1  0.54395176  0.80529204  0.15777021  1
  N  N82  1  0.03313253  0.80818825  0.35532477  1
  N  N83  1  0.45073213  0.19409470  0.84226181  1
  N  N84  1  0.88252276  0.15739172  0.72122993  1
  N  N85  1  0.63040568  0.84039884  0.23382664  1
  N  N86  1  0.12050007  0.84475371  0.27832568  1
  N  N87  1  0.36619926  0.15950235  0.76577299  1
  N  N88  1  0.78971864  0.12711846  0.79450344  1
  N  N89  1  0.71366819  0.86624654  0.31242255  1
  N  N90  1  0.21073564  0.87528702  0.20395534  1
  N  N91  1  0.28233832  0.13099765  0.68706121  1
