# generated using pymatgen
data_Mn2VCrH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11814254
_cell_length_b   10.13838539
_cell_length_c   12.55814729
_cell_angle_alpha   90.04216839
_cell_angle_beta   89.97971216
_cell_angle_gamma   106.45243456
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VCrH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Cr1 H28 C28 N32'
_cell_volume   991.27582917
_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
  Mn  Mn0  1  0.16391125  0.13474835  0.55531330  1
  Cr  Cr1  1  0.35055552  0.87201545  0.05132271  1
  V  V2  1  0.84734545  0.87396046  0.44827268  1
  Mn  Mn3  1  0.66210289  0.13392357  0.94593472  1
  H  H4  1  0.11403722  0.44907004  0.57995163  1
  H  H5  1  0.38617939  0.54969322  0.08208263  1
  H  H6  1  0.88716229  0.55011561  0.41759749  1
  H  H7  1  0.61396894  0.44912245  0.92035566  1
  H  H8  1  0.18662791  0.64964011  0.45987250  1
  H  H9  1  0.31314645  0.35187605  0.96151103  1
  H  H10  1  0.81302166  0.35059809  0.53835965  1
  H  H11  1  0.68688936  0.64965364  0.04063878  1
  H  H12  1  0.38829885  0.65531307  0.30466708  1
  H  H13  1  0.11259337  0.34810671  0.80517378  1
  H  H14  1  0.61337070  0.34783402  0.69491172  1
  H  H15  1  0.88960549  0.65550173  0.19523020  1
  H  H16  1  0.50217992  0.45092107  0.27786983  1
  H  H17  1  0.99988228  0.55202453  0.77945759  1
  H  H18  1  0.50043325  0.55215155  0.72026943  1
  H  H19  1  0.00286304  0.45088929  0.22184370  1
  H  H20  1  0.52827872  0.23335741  0.34513198  1
  H  H21  1  0.97356443  0.77175967  0.84763524  1
  H  H22  1  0.47571574  0.77196796  0.65151204  1
  H  H23  1  0.02830890  0.23331389  0.15466997  1
  H  H24  1  0.49964129  0.00343709  0.37617355  1
  H  H25  1  1.00414441  0.99846488  0.87817866  1
  H  H26  1  0.50499565  0.99798773  0.62110625  1
  H  H27  1  -0.00048695  0.00287384  0.12305223  1
  H  H28  1  0.33284380  0.90314277  0.45868328  1
  H  H29  1  0.17064742  0.10074832  0.96028859  1
  H  H30  1  0.67144331  0.10036369  0.53910581  1
  H  H31  1  0.83291717  0.90294332  0.04017902  1
  C  C32  1  0.19332800  0.44898282  0.50980871  1
  C  C33  1  0.30625581  0.55207629  0.01250413  1
  C  C34  1  0.80804484  0.55133137  0.48776588  1
  C  C35  1  0.69352045  0.44895165  0.99032089  1
  C  C36  1  0.23813703  0.56358746  0.44307744  1
  C  C37  1  0.26158370  0.43801526  0.94527112  1
  C  C38  1  0.76244362  0.43722651  0.55492251  1
  C  C39  1  0.73847917  0.56360408  0.05711957  1
  C  C40  1  0.34999313  0.56662439  0.35737958  1
  C  C41  1  0.15068756  0.43577325  0.85908768  1
  C  C42  1  0.65178683  0.43557435  0.64118853  1
  C  C43  1  0.85068813  0.56673419  0.14260344  1
  C  C44  1  0.41429223  0.45538347  0.34244165  1
  C  C45  1  0.08637929  0.54708518  0.84465550  1
  C  C46  1  0.58824982  0.54723080  0.65579360  1
  C  C47  1  0.91500955  0.45549036  0.15731166  1
  C  C48  1  0.36054155  0.34168656  0.41145588  1
  C  C49  1  0.13896354  0.66037380  0.91438747  1
  C  C50  1  0.64238930  0.66067983  0.58642571  1
  C  C51  1  0.86108777  0.34174632  0.08822843  1
  C  C52  1  0.42372448  0.22375429  0.40253044  1
  C  C53  1  0.07808313  0.77929532  0.90472760  1
  C  C54  1  0.58051216  0.77877775  0.59482832  1
  C  C55  1  0.92406848  0.22370086  0.09707371  1
  C  C56  1  0.43641501  -0.00051751  0.45410092  1
  C  C57  1  0.06825338  1.00375413  0.95591128  1
  C  C58  1  0.56837210  1.00359379  0.54307576  1
  C  C59  1  0.93632555  -0.00065687  0.04517579  1
  N  N60  1  0.24498130  0.33559445  0.49212470  1
  N  N61  1  0.25318726  0.66537343  0.99635986  1
  N  N62  1  0.75799904  0.66578914  0.50520613  1
  N  N63  1  0.74549802  0.33565003  0.00764013  1
  N  N64  1  0.35812283  0.11380612  0.45924088  1
  N  N65  1  0.14768278  0.89001570  0.96067146  1
  N  N66  1  0.64728403  0.88934809  0.53722850  1
  N  N67  1  0.85810369  0.11359132  0.04051302  1
  N  N68  1  0.01754422  0.90851651  0.57102144  1
  N  N69  1  0.46302812  0.07739351  0.07930935  1
  N  N70  1  0.95821940  0.07754561  0.42355257  1
  N  N71  1  0.51870433  0.90979811  0.92921195  1
  N  N72  1  0.08147177  0.82541378  0.61150412  1
  N  N73  1  0.40133562  0.16240030  0.11805679  1
  N  N74  1  0.90014928  0.16324738  0.38210121  1
  N  N75  1  0.58171026  0.82629610  0.88873140  1
  N  N76  1  0.15108368  0.75051248  0.64768669  1
  N  N77  1  0.34305793  0.24723416  0.14982401  1
  N  N78  1  0.84404431  0.24766247  0.34776068  1
  N  N79  1  0.65084756  0.75102320  0.85221171  1
  N  N80  1  0.96854463  0.19699083  0.64878391  1
  N  N81  1  0.54182623  0.81017439  0.14826085  1
  N  N82  1  0.03162747  0.80892956  0.35135836  1
  N  N83  1  0.46954211  0.19754313  0.85120228  1
  N  N84  1  0.87928477  0.15749326  0.72401326  1
  N  N85  1  0.62379961  0.84246012  0.22699156  1
  N  N86  1  0.11916517  0.84006987  0.27415715  1
  N  N87  1  0.37957473  0.15728255  0.77640325  1
  N  N88  1  0.78456628  0.11549672  0.79549955  1
  N  N89  1  0.70664540  0.86500052  0.30559141  1
  N  N90  1  0.20396314  0.86084465  0.19662525  1
  N  N91  1  0.28360724  0.11413947  0.70564343  1
