# generated using pymatgen
data_MnCoNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.89247673
_cell_length_b   10.88706580
_cell_length_c   10.88855573
_cell_angle_alpha   89.17044089
_cell_angle_beta   88.95419816
_cell_angle_gamma   63.67391616
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoNiH8C14(NO)6
_chemical_formula_sum   'Mn2 Co2 Ni2 H16 C28 N12 O12'
_cell_volume   1157.09854406
_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
  Ni  Ni0  1  0.89943996  0.10302902  0.25201545  1
  Ni  Ni1  1  0.10055973  0.89697394  0.74798338  1
  Mn  Mn2  1  0.85223257  1.00017702  -0.00586001  1
  Co  Co3  1  0.01361657  0.14114181  0.50793946  1
  Mn  Mn4  1  0.14776941  -0.00017851  1.00585934  1
  Co  Co5  1  0.98637895  0.85886308  0.49206089  1
  H  H6  1  0.54066405  0.16935625  0.41586317  1
  H  H7  1  0.83027349  0.46193169  0.09055407  1
  H  H8  1  0.45933971  0.83063365  0.58414021  1
  H  H9  1  0.16973048  0.53806970  0.90944205  1
  H  H10  1  0.33720310  0.15857789  0.51771586  1
  H  H11  1  0.84288606  0.66546808  0.99240261  1
  H  H12  1  0.66279570  0.84142005  0.48228555  1
  H  H13  1  0.15712217  0.33453161  0.00759486  1
  H  H14  1  0.42338285  0.07516002  0.06378526  1
  H  H15  1  0.92538607  0.57415430  0.44497002  1
  H  H16  1  0.57661919  0.92483462  0.93621689  1
  H  H17  1  0.07460494  0.42585149  0.55502992  1
  H  H18  1  0.88667873  0.22094154  0.05520141  1
  H  H19  1  0.79396793  0.12292784  0.45908579  1
  H  H20  1  0.11332114  0.77905909  0.94479496  1
  H  H21  1  0.20602726  0.87707646  0.54091176  1
  C  C22  1  0.62310399  0.11937963  0.17549393  1
  C  C23  1  0.88153635  0.37503695  0.32920177  1
  C  C24  1  0.37689858  0.88061234  0.82450904  1
  C  C25  1  0.11845958  0.62496702  0.67079683  1
  C  C26  1  0.49682040  0.12057015  0.23389900  1
  C  C27  1  0.88197940  0.50189835  0.27329472  1
  C  C28  1  0.50318235  0.87942260  0.76610402  1
  C  C29  1  0.11801809  0.49810528  0.72670343  1
  C  C30  1  0.47027503  0.14633104  0.36169204  1
  C  C31  1  0.85560038  0.53011516  0.14597042  1
  C  C32  1  0.52972643  0.85366149  0.63831014  1
  C  C33  1  0.14440170  0.46988636  0.85402723  1
  C  C34  1  0.35755206  0.14079410  0.41963142  1
  C  C35  1  0.86211359  0.64279908  0.08982691  1
  C  C36  1  0.64244752  0.85920283  0.58037052  1
  C  C37  1  0.13789198  0.35720117  0.91017104  1
  C  C38  1  0.27039161  0.10975324  0.34754595  1
  C  C39  1  0.89549061  0.72746419  0.16354422  1
  C  C40  1  0.72960612  0.89024723  0.65245458  1
  C  C41  1  0.10451495  0.27253565  0.83645446  1
  C  C42  1  0.29499080  0.08708654  0.22071853  1
  C  C43  1  0.91848973  0.70229572  0.29000591  1
  C  C44  1  0.70500814  0.91291250  0.77928280  1
  C  C45  1  0.08151042  0.29770604  0.70999330  1
  C  C46  1  0.40694935  0.09325079  0.16189012  1
  C  C47  1  0.91004479  0.59030937  0.34664218  1
  C  C48  1  0.59305180  0.90674413  0.83811138  1
  C  C49  1  0.08995035  0.40969465  0.65335688  1
  N  N50  1  0.15983548  0.08371172  0.37544452  1
  N  N51  1  0.91756207  0.83881987  0.13509410  1
  N  N52  1  0.84015935  0.91629304  0.62455518  1
  N  N53  1  0.08244780  0.16117751  0.86490501  1
  N  N54  1  0.11911778  0.04791013  0.27260238  1
  N  N55  1  0.95346396  0.88073670  0.23644012  1
  N  N56  1  0.88087719  0.95209474  0.72739694  1
  N  N57  1  0.04654074  0.11926277  0.76356064  1
  N  N58  1  0.19860172  0.04987904  0.17888613  1
  N  N59  1  0.95287189  0.80168446  0.33210990  1
  N  N60  1  0.80139507  0.95012371  0.82111365  1
  N  N61  1  0.04712797  0.19831725  0.66789051  1
  O  O62  1  0.93226130  0.12214231  0.06957288  1
  O  O63  1  0.88901292  0.07242414  0.43183034  1
  O  O64  1  0.06773940  0.87785855  0.93042467  1
  O  O65  1  0.11098417  0.92758001  0.56816915  1
  O  O66  1  0.69669789  0.15175882  0.24422156  1
  O  O67  1  0.84443305  0.30613133  0.25863482  1
  O  O68  1  0.30330336  0.84823699  0.75578061  1
  O  O69  1  0.15556209  0.69387296  0.74136317  1
  O  O70  1  0.64860995  0.08348431  0.06283719  1
  O  O71  1  0.91899493  0.34613382  0.44060981  1
  O  O72  1  0.35139458  0.91650383  0.93716681  1
  O  O73  1  0.08099974  0.65387050  0.55938861  1
