# generated using pymatgen
data_MnH12C8(N2O)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47136641
_cell_length_b   6.91230602
_cell_length_c   8.81163400
_cell_angle_alpha   116.24492534
_cell_angle_beta   100.53773249
_cell_angle_gamma   98.13305410
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnH12C8(N2O)4
_chemical_formula_sum   'Mn1 H12 C8 N8 O4'
_cell_volume   336.33593096
_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  1.00566412  0.45453915  0.48748667  1
  H  H1  1  0.85576674  0.15302085  0.05538443  1
  H  H2  1  0.15951605  0.79968481  0.91634643  1
  H  H3  1  0.43634384  0.63766630  0.39695752  1
  H  H4  1  0.55216461  0.35281625  0.59407723  1
  H  H5  1  0.57808822  0.30679059  1.00385422  1
  H  H6  1  0.44575908  0.71440824  0.00080501  1
  H  H7  1  0.65492882  0.58317740  0.18588679  1
  H  H8  1  0.34846348  0.43621622  0.81858863  1
  H  H9  1  0.03373770  0.08943652  0.51305625  1
  H  H10  1  1.00120848  0.87299878  0.60054834  1
  H  H11  1  0.20157209  0.11432871  0.40390203  1
  H  H12  1  0.79223818  0.96440550  0.61933542  1
  C  C13  1  0.01557160  0.26644768  0.10258487  1
  C  C14  1  0.99450023  0.69793776  0.87424977  1
  C  C15  1  0.30982547  0.51286665  0.28051510  1
  C  C16  1  0.68612328  0.47241915  0.70628067  1
  C  C17  1  0.52831322  0.46275122  0.06475391  1
  C  C18  1  0.48298913  0.55196342  0.93547332  1
  C  C19  1  0.54208724  0.12420180  0.28745026  1
  C  C20  1  0.41655428  0.87393392  0.69511006  1
  N  N21  1  0.33359968  0.41485108  0.11765003  1
  N  N22  1  0.67225302  0.58338870  0.87157751  1
  N  N23  1  0.14758252  0.25990004  0.00266334  1
  N  N24  1  0.86700591  0.72435908  0.98009373  1
  N  N25  1  0.10895823  0.42353412  0.27448252  1
  N  N26  1  0.88957174  0.53999537  0.70455781  1
  N  N27  1  0.71525219  0.24132133  0.31667497  1
  N  N28  1  0.23438777  0.75913354  0.64273391  1
  O  O29  1  0.36507036  0.00786339  0.25774589  1
  O  O30  1  0.59817436  -0.00783804  0.74786630  1
  O  O31  1  0.14382818  0.20087778  0.50284926  1
  O  O32  1  0.88289911  0.91059876  0.53845187  1
