# generated using pymatgen
data_MnCrCoH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.85296819
_cell_length_b   10.84627789
_cell_length_c   10.98345491
_cell_angle_alpha   89.00670092
_cell_angle_beta   88.78215703
_cell_angle_gamma   63.83633329
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrCoH8C14(NO)6
_chemical_formula_sum   'Mn2 Cr2 Co2 H16 C28 N12 O12'
_cell_volume   1160.12807336
_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
  Cr  Cr0  1  0.90740617  0.09657926  0.25443685  1
  Cr  Cr1  1  0.09259263  0.90342201  0.74556207  1
  Mn  Mn2  1  0.84839108  0.99892211  -0.00955391  1
  Co  Co3  1  0.01722857  0.14231013  0.51059624  1
  Mn  Mn4  1  0.15160858  0.00107795  1.00955418  1
  Co  Co5  1  0.98276845  0.85769285  0.48940401  1
  H  H6  1  0.53857093  0.17408002  0.41780076  1
  H  H7  1  0.82750406  0.46311941  0.09563452  1
  H  H8  1  0.46143181  0.82591378  0.58220147  1
  H  H9  1  0.17250312  0.53687892  0.90436099  1
  H  H10  1  0.33503073  0.16227504  0.51781096  1
  H  H11  1  0.84390815  0.66405864  0.99479423  1
  H  H12  1  0.66496931  0.83772277  0.48219086  1
  H  H13  1  0.15610191  0.33593714  0.00520370  1
  H  H14  1  0.42652848  0.07250757  0.06961871  1
  H  H15  1  0.92685523  0.57813666  0.44368012  1
  H  H16  1  0.57347268  0.92748842  0.93038334  1
  H  H17  1  0.07313595  0.42187004  0.55631923  1
  H  H18  1  0.89306295  0.21579612  0.05321815  1
  H  H19  1  0.79386617  0.12481410  0.46158248  1
  H  H20  1  0.10693434  0.78420717  0.94678021  1
  H  H21  1  0.20613128  0.87518806  0.53841564  1
  C  C22  1  0.62612267  0.11675437  0.17973814  1
  C  C23  1  0.88554487  0.37489905  0.33128541  1
  C  C24  1  0.37387778  0.88324215  0.82026355  1
  C  C25  1  0.11445315  0.62510271  0.66871418  1
  C  C26  1  0.49900527  0.11950060  0.23798046  1
  C  C27  1  0.88314861  0.50292476  0.27489235  1
  C  C28  1  0.50099588  0.88049562  0.76202159  1
  C  C29  1  0.11685032  0.49707630  0.72510589  1
  C  C30  1  0.46988940  0.14808909  0.36414815  1
  C  C31  1  0.85532575  0.53095651  0.14872135  1
  C  C32  1  0.53011174  0.85190661  0.63585370  1
  C  C33  1  0.14467839  0.46904239  0.85127631  1
  C  C34  1  0.35643487  0.14226460  0.42093189  1
  C  C35  1  0.86342369  0.64280618  0.09149087  1
  C  C36  1  0.64356551  0.85773293  0.57906944  1
  C  C37  1  0.13658276  0.35719252  0.90850587  1
  C  C38  1  0.27055852  0.10765968  0.35007635  1
  C  C39  1  0.89858781  0.72841702  0.16253064  1
  C  C40  1  0.72944073  0.89233995  0.64992464  1
  C  C41  1  0.10141650  0.27158276  0.83746889  1
  C  C42  1  0.29772599  0.08166680  0.22506538  1
  C  C43  1  0.92056196  0.70482915  0.28827541  1
  C  C44  1  0.70227381  0.91833186  0.77493613  1
  C  C45  1  0.07943644  0.29517283  0.71172398  1
  C  C46  1  0.40975735  0.09000319  0.16693031  1
  C  C47  1  0.91118770  0.59314264  0.34610825  1
  C  C48  1  0.59024383  0.90999328  0.83307062  1
  C  C49  1  0.08880780  0.40686053  0.65389008  1
  N  N50  1  0.15677892  0.08556845  0.37730117  1
  N  N51  1  0.92069002  0.83993692  0.13215132  1
  N  N52  1  0.84321851  0.91443392  0.62269907  1
  N  N53  1  0.07931530  0.16006229  0.86784822  1
  N  N54  1  0.11545212  0.05001607  0.27491222  1
  N  N55  1  0.95009886  0.88784691  0.23381154  1
  N  N56  1  0.88454526  0.94998707  0.72508772  1
  N  N57  1  0.04990227  0.11215351  0.76618975  1
  N  N58  1  0.20093709  0.04478166  0.18256788  1
  N  N59  1  0.95331715  0.80612926  0.32905534  1
  N  N60  1  0.79906186  0.95521894  0.81743261  1
  N  N61  1  0.04667967  0.19387323  0.67094574  1
  O  O62  1  0.93198653  0.11818037  0.07404972  1
  O  O63  1  0.88827494  0.07478831  0.43207913  1
  O  O64  1  0.06801226  0.88182060  0.92594851  1
  O  O65  1  0.11172297  0.92521365  0.56792009  1
  O  O66  1  0.70364736  0.14663012  0.24787094  1
  O  O67  1  0.85606059  0.29908476  0.25973618  1
  O  O68  1  0.29635243  0.85336839  0.75212944  1
  O  O69  1  0.14393835  0.70091623  0.74026261  1
  O  O70  1  0.65010380  0.08311211  0.06823455  1
  O  O71  1  0.91714505  0.34933193  0.44229561  1
  O  O72  1  0.34989668  0.91688303  0.93176701  1
  O  O73  1  0.08285083  0.65067081  0.55770353  1
