# generated using pymatgen
data_MnCrCoH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.94684300
_cell_length_b   10.95516881
_cell_length_c   10.91805071
_cell_angle_alpha   89.07315777
_cell_angle_beta   88.73239806
_cell_angle_gamma   63.35845604
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrCoH8C14(NO)6
_chemical_formula_sum   'Mn2 Cr2 Co2 H16 C28 N12 O12'
_cell_volume   1170.01314276
_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
  Mn  Mn0  1  0.90019839  0.10622207  0.26462035  1
  Mn  Mn1  1  0.09980021  0.89378110  0.73537832  1
  Cr  Cr2  1  0.85863188  0.99333456  -0.00859999  1
  Co  Co3  1  0.02261440  0.13994160  0.50396562  1
  Cr  Cr4  1  0.14136738  0.00666371  1.00859935  1
  Co  Co5  1  0.97738353  0.86006053  0.49603321  1
  H  H6  1  0.54785552  0.16960319  0.40548830  1
  H  H7  1  0.82663127  0.46871997  0.09566387  1
  H  H8  1  0.45214837  0.83038657  0.59451530  1
  H  H9  1  0.17337239  0.53128035  0.90433480  1
  H  H10  1  0.34511895  0.16110699  0.50937992  1
  H  H11  1  0.84096086  0.66973452  0.99499546  1
  H  H12  1  0.65488060  0.83888802  0.49062136  1
  H  H13  1  0.15904745  0.33026313  0.00500277  1
  H  H14  1  0.42604906  0.08063118  0.05474732  1
  H  H15  1  0.92668874  0.57879435  0.44630746  1
  H  H16  1  0.57395406  0.91936391  0.94525580  1
  H  H17  1  0.07330397  0.42121133  0.55369169  1
  H  H18  1  0.89835597  0.20767556  0.04048973  1
  H  H19  1  0.79081965  0.13217774  0.49112680  1
  H  H20  1  0.10164644  0.79232177  0.95950766  1
  H  H21  1  0.20917941  0.86782553  0.50887318  1
  C  C22  1  0.62867932  0.11967168  0.16824934  1
  C  C23  1  0.88432915  0.38112338  0.33169316  1
  C  C24  1  0.37132192  0.88032365  0.83175218  1
  C  C25  1  0.11566697  0.61888095  0.66830745  1
  C  C26  1  0.50249421  0.12130944  0.22460939  1
  C  C27  1  0.88173869  0.50808068  0.27592635  1
  C  C28  1  0.49750836  0.87868552  0.77539372  1
  C  C29  1  0.11825969  0.49192181  0.72407202  1
  C  C30  1  0.47699639  0.14730905  0.35238899  1
  C  C31  1  0.85305008  0.53639489  0.14938772  1
  C  C32  1  0.52300594  0.85268385  0.64761308  1
  C  C33  1  0.14695243  0.46360465  0.85061124  1
  C  C34  1  0.36526074  0.14286299  0.41152693  1
  C  C35  1  0.86053953  0.64747874  0.09213218  1
  C  C36  1  0.63474003  0.85713277  0.58847458  1
  C  C37  1  0.13946589  0.35251985  0.90786498  1
  C  C38  1  0.27810789  0.11258769  0.34024573  1
  C  C39  1  0.89681784  0.72971813  0.16438749  1
  C  C40  1  0.72189091  0.88741235  0.65975337  1
  C  C41  1  0.10318697  0.27028057  0.83561174  1
  C  C42  1  0.30096267  0.09059179  0.21342159  1
  C  C43  1  0.92134660  0.70459942  0.29020785  1
  C  C44  1  0.69903548  0.90940801  0.78657931  1
  C  C45  1  0.07865406  0.29540173  0.70979150  1
  C  C46  1  0.41167350  0.09626133  0.15305263  1
  C  C47  1  0.91066954  0.59536731  0.34832396  1
  C  C48  1  0.58832878  0.90373399  0.84694548  1
  C  C49  1  0.08932710  0.40463562  0.65167696  1
  N  N50  1  0.16795272  0.08777146  0.37061148  1
  N  N51  1  0.92563738  0.83667150  0.13480928  1
  N  N52  1  0.83204203  0.91223512  0.62938687  1
  N  N53  1  0.07436926  0.16332607  0.86518980  1
  N  N54  1  0.13217567  0.04362701  0.27115774  1
  N  N55  1  0.96767393  0.87446413  0.23449919  1
  N  N56  1  0.86781815  0.95638126  0.72884044  1
  N  N57  1  0.03232879  0.12553548  0.76550134  1
  N  N58  1  0.20282868  0.05566101  0.17377703  1
  N  N59  1  0.96300328  0.79899817  0.33044315  1
  N  N60  1  0.79716634  0.94434578  0.82622097  1
  N  N61  1  0.03699669  0.20100271  0.66955753  1
  O  O62  1  0.94032387  0.11316423  0.06904844  1
  O  O63  1  0.88024264  0.07880473  0.45309376  1
  O  O64  1  0.05967609  0.88683528  0.93095047  1
  O  O65  1  0.11975646  0.92119764  0.54690527  1
  O  O66  1  0.69522294  0.16054161  0.23531749  1
  O  O67  1  0.84579534  0.31346579  0.26225390  1
  O  O68  1  0.30477713  0.83945670  0.76468445  1
  O  O69  1  0.15420074  0.68653777  0.73774398  1
  O  O70  1  0.66332001  0.07602787  0.05756902  1
  O  O71  1  0.92738358  0.34811033  0.44072507  1
  O  O72  1  0.33668160  0.92396742  0.94243416  1
  O  O73  1  0.07260800  0.65189423  0.55927445  1
