# generated using pymatgen
data_MnCo2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.89981642
_cell_length_b   10.89787682
_cell_length_c   10.91909919
_cell_angle_alpha   89.13274983
_cell_angle_beta   88.95321950
_cell_angle_gamma   63.62150268
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCo2H8C14(NO)6
_chemical_formula_sum   'Mn2 Co4 H16 C28 N12 O12'
_cell_volume   1161.74608276
_cell_formula_units_Z   2
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  0.90450102  0.09390432  0.24716098  1
  Co  Co1  1  0.09549773  0.90609758  0.75283747  1
  Co  Co2  1  0.85746404  0.98645586  -0.00695895  1
  Mn  Mn3  1  -0.00038725  0.14947129  0.50490357  1
  Co  Co4  1  0.14253611  0.01354241  1.00695806  1
  Mn  Mn5  1  1.00038376  0.85053366  0.49509770  1
  H  H6  1  0.53777814  0.16969581  0.40757805  1
  H  H7  1  0.82750769  0.46032948  0.08585145  1
  H  H8  1  0.46222604  0.83029425  0.59242414  1
  H  H9  1  0.17249600  0.53967158  0.91414492  1
  H  H10  1  0.33459323  0.15587025  0.50613392  1
  H  H11  1  0.83748400  0.66378782  0.98417243  1
  H  H12  1  0.66540687  0.84412627  0.49386732  1
  H  H13  1  0.16252579  0.33621039  0.01582430  1
  H  H14  1  0.42430414  0.07875106  0.05353542  1
  H  H15  1  0.92884658  0.57536709  0.43488107  1
  H  H16  1  0.57569746  0.92124414  0.94646572  1
  H  H17  1  0.07114375  0.42463884  0.56511904  1
  H  H18  1  0.87650428  0.20732465  0.03975926  1
  H  H19  1  0.78319787  0.10708492  0.44445057  1
  H  H20  1  0.12349282  0.79267793  0.96023883  1
  H  H21  1  0.21679987  0.89291942  0.55554781  1
  C  C22  1  0.62620456  0.11721529  0.17095073  1
  C  C23  1  0.88334726  0.37590763  0.32410903  1
  C  C24  1  0.37379696  0.88277746  0.82905166  1
  C  C25  1  0.11664853  0.62409525  0.67588874  1
  C  C26  1  0.49783755  0.11893668  0.22557035  1
  C  C27  1  0.88023629  0.50283229  0.26600879  1
  C  C28  1  0.50216482  0.88105716  0.77443124  1
  C  C29  1  0.11976129  0.49717049  0.73398928  1
  C  C30  1  0.46929686  0.14493993  0.35257858  1
  C  C31  1  0.85162903  0.53039193  0.13939691  1
  C  C32  1  0.53070497  0.85505357  0.64742299  1
  C  C33  1  0.14837342  0.46960923  0.86060029  1
  C  C34  1  0.35682782  0.13787451  0.40864497  1
  C  C35  1  0.85647600  0.64322068  0.08165917  1
  C  C36  1  0.64317272  0.86212196  0.59135622  1
  C  C37  1  0.14352998  0.35677923  0.91833823  1
  C  C38  1  0.27254607  0.10442334  0.33496388  1
  C  C39  1  0.88998773  0.72924935  0.15288333  1
  C  C40  1  0.72745275  0.89557613  0.66503696  1
  C  C41  1  0.11001505  0.27075223  0.84711491  1
  C  C42  1  0.29815335  0.08175925  0.20873493  1
  C  C43  1  0.91814621  0.70199257  0.27810510  1
  C  C44  1  0.70184563  0.91823953  0.79126570  1
  C  C45  1  0.08185145  0.29801005  0.72189459  1
  C  C46  1  0.40898713  0.09227132  0.15189527  1
  C  C47  1  0.90992261  0.59156124  0.33727771  1
  C  C48  1  0.59101345  0.90772460  0.84810700  1
  C  C49  1  0.09007204  0.40844231  0.66272150  1
  N  N50  1  0.16048891  0.08333150  0.36291198  1
  N  N51  1  0.91320770  0.84133139  0.12507045  1
  N  N52  1  0.83950726  0.91667227  0.63708855  1
  N  N53  1  0.08680641  0.15866473  0.87492988  1
  N  N54  1  0.11804271  0.04931002  0.26095478  1
  N  N55  1  0.95517742  0.87868118  0.22633378  1
  N  N56  1  0.88195134  0.95069707  0.73904565  1
  N  N57  1  0.04482750  0.12131780  0.77366834  1
  N  N58  1  0.19897005  0.04751408  0.16613594  1
  N  N59  1  0.96019913  0.79555414  0.31847344  1
  N  N60  1  0.80102637  0.95248896  0.83386439  1
  N  N61  1  0.03979890  0.20444759  0.68152905  1
  O  O62  1  0.92848619  0.11167049  0.06362464  1
  O  O63  1  0.88201919  0.06297935  0.43180139  1
  O  O64  1  0.07151427  0.88833157  0.93637220  1
  O  O65  1  0.11797950  0.93702472  0.56819910  1
  O  O66  1  0.69846196  0.14783250  0.24300922  1
  O  O67  1  0.85018335  0.30197095  0.25680687  1
  O  O68  1  0.30153965  0.85216206  0.75699176  1
  O  O69  1  0.14981237  0.69803268  0.74319130  1
  O  O70  1  0.65336616  0.08343076  0.05862077  1
  O  O71  1  0.92160514  0.35058954  0.43575712  1
  O  O72  1  0.34663808  0.91655871  0.94138134  1
  O  O73  1  0.07838950  0.64941452  0.56424131  1
