# generated using pymatgen
data_MnVH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40906023
_cell_length_b   9.52697805
_cell_length_c   9.53039439
_cell_angle_alpha   81.78749948
_cell_angle_beta   75.38816669
_cell_angle_gamma   75.78726710
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVH20C28(N3O2)4
_chemical_formula_sum   'Mn1 V1 H20 C28 N12 O8'
_cell_volume   798.38286477
_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  0.74121519  0.94331712  0.72085590  1
  V  V1  1  0.23973243  0.71010705  0.95277876  1
  H  H2  1  0.39121783  0.01387619  0.60849894  1
  H  H3  1  0.88874818  0.61238466  0.02552385  1
  H  H4  1  0.59642988  0.49324487  0.77863572  1
  H  H5  1  0.10431897  0.77354467  0.48363075  1
  H  H6  1  0.87312823  0.87616245  0.17320934  1
  H  H7  1  0.36953690  0.17908982  0.88226007  1
  H  H8  1  0.07718681  0.30950095  0.24810698  1
  H  H9  1  0.57932629  0.24403325  0.29676548  1
  H  H10  1  0.58796657  0.92509049  0.08056986  1
  H  H11  1  0.08545730  0.08855226  0.92455057  1
  H  H12  1  0.96064759  0.11421889  0.41042758  1
  H  H13  1  0.46789961  0.40818556  0.10098265  1
  H  H14  1  0.78941970  0.63410403  0.53388171  1
  H  H15  1  0.29430031  0.53099843  0.62156577  1
  H  H16  1  0.21150246  0.03120133  0.44894299  1
  H  H17  1  0.70943747  0.45492180  0.03319070  1
  H  H18  1  0.30877627  0.98525466  0.18610085  1
  H  H19  1  0.80683465  0.19304563  0.98278314  1
  H  H20  1  0.98692260  0.56814957  0.30640848  1
  H  H21  1  0.48965140  0.30295216  0.55526999  1
  C  C22  1  0.43071620  0.99365117  0.49424897  1
  C  C23  1  0.92881387  0.49904099  0.00269180  1
  C  C24  1  0.43947605  0.89937046  0.86834553  1
  C  C25  1  0.94914026  0.86555780  0.90488486  1
  C  C26  1  0.54207566  0.74777462  0.83706959  1
  C  C27  1  0.04845430  0.82179769  0.75485237  1
  C  C28  1  0.98932753  0.33732162  0.34578841  1
  C  C29  1  0.49325921  0.34247868  0.32452037  1
  C  C30  1  0.54210859  0.94303331  0.19470115  1
  C  C31  1  0.03967251  0.20190152  0.94525462  1
  C  C32  1  0.81991382  0.26671245  0.56154396  1
  C  C33  1  0.32788886  0.55935571  0.25374552  1
  C  C34  1  0.92900099  0.22719751  0.43564297  1
  C  C35  1  0.43538385  0.43331591  0.21415653  1
  C  C36  1  0.82899868  0.52262041  0.50474369  1
  C  C37  1  0.33450622  0.50202285  0.50984516  1
  C  C38  1  0.77112197  0.41179673  0.59474031  1
  C  C39  1  0.27857327  0.59243158  0.39864316  1
  C  C40  1  0.63913317  0.93171749  0.28657184  1
  C  C41  1  0.13696052  0.29328386  0.93872246  1
  C  C42  1  0.33266719  0.00355993  0.40365202  1
  C  C43  1  0.83049576  0.40935452  0.00740897  1
  C  C44  1  0.38727271  0.97850200  0.25514108  1
  C  C45  1  0.88498599  0.26192085  0.97934769  1
  C  C46  1  0.93917899  0.48335813  0.37902453  1
  C  C47  1  0.44302498  0.37581943  0.47065620  1
  C  C48  1  0.58531794  0.95697598  0.43350805  1
  C  C49  1  0.08302463  0.43853068  0.96840314  1
  N  N50  1  0.83321327  0.91220165  0.39033927  1
  N  N51  1  0.33263763  0.39402930  0.92438868  1
  N  N52  1  0.64591016  0.27096032  0.76601253  1
  N  N53  1  0.15377348  0.76553862  0.26047797  1
  N  N54  1  0.70992481  0.94273326  0.49158845  1
  N  N55  1  0.20892949  0.49620376  0.95696756  1
  N  N56  1  0.66474037  0.40604595  0.72306131  1
  N  N57  1  0.17355397  0.72130988  0.39416325  1
  N  N58  1  0.73902361  0.18558845  0.67068882  1
  N  N59  1  0.24746203  0.66991647  0.17280452  1
  N  N60  1  0.79303756  0.90365173  0.26773260  1
  N  N61  1  0.29086392  0.27392334  0.91179205  1
  O  O62  1  0.47476359  0.64158698  0.87496572  1
  O  O63  1  0.98974399  0.85747780  0.64570521  1
  O  O64  1  0.49693457  0.00947522  0.82895228  1
  O  O65  1  1.01157616  0.81865043  0.01260984  1
  O  O66  1  0.30242259  0.90220550  0.93199612  1
  O  O67  1  0.81755514  0.94002210  0.91435765  1
  O  O68  1  0.67842324  0.73712022  0.77619211  1
  O  O69  1  0.18200198  0.75037716  0.75377068  1
