# generated using pymatgen
data_MnCoH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41195433
_cell_length_b   9.52840912
_cell_length_c   9.53226002
_cell_angle_alpha   81.79698818
_cell_angle_beta   75.37672882
_cell_angle_gamma   75.77939548
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoH20C28(N3O2)4
_chemical_formula_sum   'Mn1 Co1 H20 C28 N12 O8'
_cell_volume   798.85294359
_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  0.74143406  0.93975144  0.72385082  1
  Co  Co1  1  0.23943945  0.70769115  0.95238958  1
  H  H2  1  0.39131508  0.01259943  0.60863693  1
  H  H3  1  0.89003451  0.61238702  0.02485691  1
  H  H4  1  0.59621820  0.49535872  0.77768080  1
  H  H5  1  0.10533075  0.77142764  0.48697435  1
  H  H6  1  0.87267264  0.87540206  0.17138036  1
  H  H7  1  0.36740703  0.17604147  0.88240260  1
  H  H8  1  0.07790192  0.31031001  0.24817198  1
  H  H9  1  0.57936936  0.24510507  0.29639043  1
  H  H10  1  0.58793961  0.92471688  0.08057288  1
  H  H11  1  0.08612683  0.08869837  0.92454198  1
  H  H12  1  0.95862731  0.11490015  0.40933587  1
  H  H13  1  0.46591897  0.40873172  0.10133317  1
  H  H14  1  0.78928633  0.63394089  0.53489341  1
  H  H15  1  0.29446764  0.53171564  0.62149850  1
  H  H16  1  0.21114192  0.03023879  0.44908768  1
  H  H17  1  0.71028643  0.45585141  0.03189777  1
  H  H18  1  0.30895428  0.98436044  0.18507593  1
  H  H19  1  0.80717101  0.19255142  0.98230694  1
  H  H20  1  0.98724609  0.56899630  0.30654334  1
  H  H21  1  0.49036593  0.30327588  0.55558704  1
  C  C22  1  0.43018110  0.99389699  0.49387365  1
  C  C23  1  0.92968129  0.49881289  0.00255670  1
  C  C24  1  0.43823114  0.89767457  0.86838774  1
  C  C25  1  0.94937567  0.86681107  0.90653664  1
  C  C26  1  0.54173546  0.74510588  0.83658866  1
  C  C27  1  0.04850266  0.82227957  0.75501434  1
  C  C28  1  0.98945209  0.33780545  0.34543864  1
  C  C29  1  0.49272410  0.34305496  0.32454479  1
  C  C30  1  0.54154628  0.94314320  0.19442874  1
  C  C31  1  0.03943765  0.20192824  0.94508074  1
  C  C32  1  0.82021863  0.26753394  0.56122467  1
  C  C33  1  0.32758113  0.56073225  0.25422123  1
  C  C34  1  0.92858142  0.22783463  0.43484378  1
  C  C35  1  0.43438608  0.43389381  0.21461771  1
  C  C36  1  0.82944229  0.52308569  0.50448474  1
  C  C37  1  0.33486716  0.50170081  0.51026100  1
  C  C38  1  0.77184521  0.41246253  0.59463393  1
  C  C39  1  0.27893750  0.59236727  0.39963787  1
  C  C40  1  0.63860988  0.93125516  0.28611130  1
  C  C41  1  0.13661855  0.29306470  0.93762217  1
  C  C42  1  0.33213521  0.00381036  0.40333437  1
  C  C43  1  0.83113281  0.40951699  0.00711468  1
  C  C44  1  0.38668030  0.97873369  0.25474681  1
  C  C45  1  0.88488656  0.26180163  0.97932773  1
  C  C46  1  0.93939629  0.48400982  0.37880114  1
  C  C47  1  0.44320693  0.37576203  0.47103415  1
  C  C48  1  0.58479549  0.95720921  0.43286502  1
  C  C49  1  0.08430755  0.43835118  0.96774327  1
  N  N50  1  0.83272241  0.91516284  0.38822814  1
  N  N51  1  0.33329412  0.39086585  0.92610808  1
  N  N52  1  0.64660438  0.27214914  0.76582027  1
  N  N53  1  0.15396142  0.76585418  0.26258516  1
  N  N54  1  0.70966089  0.94547747  0.48975298  1
  N  N55  1  0.21180209  0.49241169  0.95959848  1
  N  N56  1  0.66551077  0.40715038  0.72282209  1
  N  N57  1  0.17459062  0.72093774  0.39665694  1
  N  N58  1  0.73894492  0.18664349  0.67025127  1
  N  N59  1  0.24802552  0.67359335  0.17490084  1
  N  N60  1  0.79243226  0.90425568  0.26642938  1
  N  N61  1  0.28989563  0.27129619  0.91271872  1
  O  O62  1  0.47931690  0.63709990  0.87619970  1
  O  O63  1  0.98691878  0.85964635  0.64634374  1
  O  O64  1  0.49808855  0.00749527  0.82640608  1
  O  O65  1  1.00699746  0.81759774  0.01567712  1
  O  O66  1  0.30302198  0.90303929  0.93339087  1
  O  O67  1  0.81882793  0.94511765  0.91296832  1
  O  O68  1  0.67807170  0.73709031  0.77326885  1
  O  O69  1  0.18080174  0.75078287  0.75074918  1
