# generated using pymatgen
data_MnCoH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.42080869
_cell_length_b   9.53373099
_cell_length_c   9.53742249
_cell_angle_alpha   81.81639524
_cell_angle_beta   75.37110874
_cell_angle_gamma   75.75374344
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoH20C28(N3O2)4
_chemical_formula_sum   'Mn1 Co1 H20 C28 N12 O8'
_cell_volume   800.40666043
_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
  Co  Co0  1  0.73966735  0.95759088  0.70546490  1
  Mn  Mn1  1  0.24150179  0.72329676  0.93613557  1
  H  H2  1  0.38829309  0.01370090  0.61138943  1
  H  H3  1  0.89086192  0.60794438  0.02355421  1
  H  H4  1  0.59945436  0.49043540  0.77872157  1
  H  H5  1  0.10210153  0.77213827  0.49255030  1
  H  H6  1  0.87135441  0.87846112  0.17557640  1
  H  H7  1  0.36824351  0.17223208  0.87925339  1
  H  H8  1  0.07804092  0.30883913  0.24862937  1
  H  H9  1  0.58053247  0.24466906  0.29783728  1
  H  H10  1  0.59055284  0.92447309  0.08456624  1
  H  H11  1  0.07953847  0.08311638  0.92292187  1
  H  H12  1  0.95723033  0.11358336  0.40473332  1
  H  H13  1  0.46205627  0.40842528  0.10680682  1
  H  H14  1  0.78957586  0.63006137  0.53676474  1
  H  H15  1  0.29781042  0.52528129  0.62909411  1
  H  H16  1  0.21213687  0.02892476  0.45058116  1
  H  H17  1  0.70848003  0.45324119  0.03126855  1
  H  H18  1  0.31120389  0.98419368  0.18762594  1
  H  H19  1  0.80261142  0.19127293  0.98167380  1
  H  H20  1  0.98798947  0.56656442  0.30975702  1
  H  H21  1  0.49420387  0.29993239  0.55757788  1
  C  C22  1  0.43011047  0.99379509  0.49722758  1
  C  C23  1  0.92854553  0.49409111  0.00209790  1
  C  C24  1  0.45036999  0.90817376  0.86339429  1
  C  C25  1  0.93740442  0.86996483  0.89633451  1
  C  C26  1  0.55304382  0.75593139  0.82847146  1
  C  C27  1  0.03735043  0.82730709  0.74499845  1
  C  C28  1  0.98931656  0.33586914  0.34578215  1
  C  C29  1  0.49376538  0.34194033  0.32792354  1
  C  C30  1  0.54356306  0.94207575  0.19869527  1
  C  C31  1  0.03612741  0.19660906  0.94353068  1
  C  C32  1  0.82152834  0.26280618  0.56150483  1
  C  C33  1  0.32783247  0.56025864  0.26182613  1
  C  C34  1  0.92788148  0.22545234  0.43330199  1
  C  C35  1  0.43332581  0.43332966  0.21989519  1
  C  C36  1  0.82964238  0.51889420  0.50671237  1
  C  C37  1  0.33709235  0.49874908  0.51665600  1
  C  C38  1  0.77287769  0.40708741  0.59609406  1
  C  C39  1  0.27979041  0.59125383  0.40780586  1
  C  C40  1  0.63931572  0.93127398  0.29169428  1
  C  C41  1  0.13485527  0.28561332  0.93791404  1
  C  C42  1  0.33325250  0.00231024  0.40592413  1
  C  C43  1  0.82909786  0.40648359  0.00597936  1
  C  C44  1  0.38871341  0.97728880  0.25762497  1
  C  C45  1  0.88190083  0.25895698  0.97772299  1
  C  C46  1  0.93984132  0.48136975  0.38090335  1
  C  C47  1  0.44573106  0.37363708  0.47463317  1
  C  C48  1  0.58509267  0.95860981  0.43786926  1
  C  C49  1  0.08256269  0.43083910  0.96899467  1
  N  N50  1  0.83381206  0.92017896  0.39164651  1
  N  N51  1  0.32965220  0.38409126  0.93164476  1
  N  N52  1  0.64796249  0.26643704  0.76746442  1
  N  N53  1  0.15642380  0.76471947  0.26963665  1
  N  N54  1  0.71116470  0.94995990  0.49352023  1
  N  N55  1  0.20745149  0.48518683  0.96474692  1
  N  N56  1  0.66668008  0.40136896  0.72401808  1
  N  N57  1  0.17526460  0.72033890  0.40428634  1
  N  N58  1  0.74105083  0.18127639  0.67227989  1
  N  N59  1  0.24981874  0.67192733  0.18210490  1
  N  N60  1  0.79251493  0.90605014  0.27142972  1
  N  N61  1  0.28845085  0.26435891  0.91517903  1
  O  O62  1  0.49024990  0.64761555  0.86552752  1
  O  O63  1  0.97630621  0.86887439  0.63708774  1
  O  O64  1  0.50806664  0.01773446  0.81457038  1
  O  O65  1  0.99734070  0.82743467  0.00549126  1
  O  O66  1  0.31649086  0.91479858  0.93435847  1
  O  O67  1  0.80582514  0.94398668  0.90079339  1
  O  O68  1  0.68810226  0.75084088  0.76373085  1
  O  O69  1  0.17064095  0.75582885  0.73784824  1
