# generated using pymatgen
data_Mn2VCoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11769510
_cell_length_b   10.13584446
_cell_length_c   12.55740993
_cell_angle_alpha   90.03997057
_cell_angle_beta   89.97961222
_cell_angle_gamma   106.44808309
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VCoH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Co1 H28 C28 N32'
_cell_volume   990.93683089
_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  0.15911718  0.13392586  0.55582398  1
  V  V1  1  0.34386295  0.87512719  0.05371873  1
  Mn  Mn2  1  0.83826472  0.86754202  0.44846650  1
  Co  Co3  1  0.66121610  0.13258489  0.94031161  1
  H  H4  1  0.11380418  0.44952895  0.57996337  1
  H  H5  1  0.38685235  0.54913158  0.08118402  1
  H  H6  1  0.88400380  0.55036616  0.41918505  1
  H  H7  1  0.61291062  0.44839772  0.92018663  1
  H  H8  1  0.18732808  0.64980658  0.45953671  1
  H  H9  1  0.31183527  0.35031562  0.96167197  1
  H  H10  1  0.81155906  0.35015753  0.53946015  1
  H  H11  1  0.68653505  0.64899622  0.03967953  1
  H  H12  1  0.38798547  0.65439760  0.30399160  1
  H  H13  1  0.11173095  0.34670011  0.80470747  1
  H  H14  1  0.61164405  0.34581440  0.69621827  1
  H  H15  1  0.88859646  0.65426564  0.19545261  1
  H  H16  1  0.50276240  0.45031150  0.27833640  1
  H  H17  1  0.99876468  0.55139742  0.77955951  1
  H  H18  1  0.49778414  0.54982729  0.72208402  1
  H  H19  1  0.00238641  0.44955067  0.22112697  1
  H  H20  1  0.52763501  0.23251709  0.34518631  1
  H  H21  1  0.97592591  0.77154364  0.84644227  1
  H  H22  1  0.47168391  0.76904195  0.65512072  1
  H  H23  1  0.02556248  0.23159611  0.15441434  1
  H  H24  1  0.50091618  0.00438483  0.37735212  1
  H  H25  1  1.00220386  0.99662514  0.87787092  1
  H  H26  1  0.49902651  0.99609384  0.62245743  1
  H  H27  1  -0.00115036  0.00512064  0.12308188  1
  H  H28  1  0.33133597  0.90343737  0.45775249  1
  H  H29  1  0.16924534  0.09961250  0.95924777  1
  H  H30  1  0.66913167  0.09707214  0.54220760  1
  H  H31  1  0.83211479  0.90252809  0.04135205  1
  C  C32  1  0.19407300  0.44929688  0.51029693  1
  C  C33  1  0.30795842  0.55162829  0.01111252  1
  C  C34  1  0.80453482  0.55067017  0.48922120  1
  C  C35  1  0.69356368  0.44808425  0.98957823  1
  C  C36  1  0.23909241  0.56375618  0.44326275  1
  C  C37  1  0.26162316  0.43699138  0.94453253  1
  C  C38  1  0.76016904  0.43628480  0.55625674  1
  C  C39  1  0.73815562  0.56303255  0.05645016  1
  C  C40  1  0.35052872  0.56636124  0.35740758  1
  C  C41  1  0.15040777  0.43471923  0.85841780  1
  C  C42  1  0.64946693  0.43374392  0.64256717  1
  C  C43  1  0.84998107  0.56604887  0.14206042  1
  C  C44  1  0.41511855  0.45512311  0.34296345  1
  C  C45  1  0.08719881  0.54648335  0.84368692  1
  C  C46  1  0.58510193  0.54504620  0.65725318  1
  C  C47  1  0.91439824  0.45475518  0.15679291  1
  C  C48  1  0.36162896  0.34181499  0.41238094  1
  C  C49  1  0.14199699  0.66062669  0.91262798  1
  C  C50  1  0.63775138  0.65838900  0.58781455  1
  C  C51  1  0.86060049  0.34114304  0.08744781  1
  C  C52  1  0.42400541  0.22342151  0.40315924  1
  C  C53  1  0.07957580  0.77849271  0.90397882  1
  C  C54  1  0.57529160  0.77663113  0.59734774  1
  C  C55  1  0.92251327  0.22210946  0.09630325  1
  C  C56  1  0.43556668  -0.00046464  0.45467721  1
  C  C57  1  0.06605800  1.00291373  0.95572772  1
  C  C58  1  0.56454391  1.00120654  0.54519071  1
  C  C59  1  0.93487822  -0.00069278  0.04519918  1
  N  N60  1  0.24677660  0.33614639  0.49361858  1
  N  N61  1  0.25797785  0.66602879  0.99352137  1
  N  N62  1  0.75218244  0.66400162  0.50626168  1
  N  N63  1  0.74751642  0.33594757  0.00616658  1
  N  N64  1  0.35832477  0.11431548  0.46059378  1
  N  N65  1  0.14423160  0.88872773  0.96201599  1
  N  N66  1  0.64101394  0.88613214  0.54015121  1
  N  N67  1  0.85641493  0.11319494  0.03921669  1
  N  N68  1  0.03218960  0.91510283  0.57456754  1
  N  N69  1  0.46638664  0.07692081  0.06978065  1
  N  N70  1  0.96668355  0.08447765  0.42703623  1
  N  N71  1  0.51717610  0.91243720  0.93089477  1
  N  N72  1  0.09279650  0.83095522  0.61511997  1
  N  N73  1  0.41217347  0.16546463  0.11085985  1
  N  N74  1  0.90691580  0.16852353  0.38542462  1
  N  N75  1  0.58404614  0.83208423  0.88914012  1
  N  N76  1  0.15434685  0.74901124  0.64929960  1
  N  N77  1  0.35319844  0.24785178  0.14609188  1
  N  N78  1  0.84567359  0.25021486  0.35049797  1
  N  N79  1  0.65396786  0.75673969  0.85349680  1
  N  N80  1  0.96560255  0.19827238  0.65737517  1
  N  N81  1  0.52218385  0.80266359  0.14734026  1
  N  N82  1  0.04391808  0.80538971  0.34449160  1
  N  N83  1  0.47216623  0.19633348  0.85217922  1
  N  N84  1  0.87230205  0.15866705  0.73085340  1
  N  N85  1  0.61709917  0.84166038  0.22088472  1
  N  N86  1  0.13087400  0.84205977  0.26905482  1
  N  N87  1  0.38202019  0.15672814  0.77760943  1
  N  N88  1  0.77515917  0.11116803  0.80004011  1
  N  N89  1  0.71492036  0.87636569  0.29137935  1
  N  N90  1  0.21932207  0.87112198  0.19244145  1
  N  N91  1  0.28608814  0.11997250  0.70574075  1
