# generated using pymatgen
data_MnCrFeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.85460993
_cell_length_b   10.85427211
_cell_length_c   11.05425868
_cell_angle_alpha   88.86776374
_cell_angle_beta   88.62394586
_cell_angle_gamma   63.80897013
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrFeH8C14(NO)6
_chemical_formula_sum   'Mn2 Cr2 Fe2 H16 C28 N12 O12'
_cell_volume   1168.28179169
_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  0.90894588  0.08997905  0.24888578  1
  Cr  Cr1  1  0.09105283  0.91002275  0.75111321  1
  Fe  Fe2  1  0.85255130  0.99495515  -0.01270166  1
  Mn  Mn3  1  0.00153511  0.15233308  0.51091019  1
  Fe  Fe4  1  0.14745013  0.00504442  1.01270048  1
  Mn  Mn5  1  0.99846353  0.84766955  0.48908949  1
  H  H6  1  0.53877044  0.17386374  0.40694798  1
  H  H7  1  0.82264878  0.46268591  0.08628323  1
  H  H8  1  0.46123353  0.82613147  0.59305293  1
  H  H9  1  0.17735795  0.53731228  0.91371436  1
  H  H10  1  0.33767534  0.15692474  0.50700203  1
  H  H11  1  0.83409157  0.66608108  0.98621228  1
  H  H12  1  0.66232338  0.84307491  0.49300211  1
  H  H13  1  0.16591871  0.33391446  0.01378676  1
  H  H14  1  0.42630614  0.07634720  0.06014888  1
  H  H15  1  0.93475682  0.57067246  0.42891331  1
  H  H16  1  0.57369616  0.92364707  0.93986051  1
  H  H17  1  0.06523207  0.42933337  0.57108353  1
  H  H18  1  0.89062853  0.20918407  0.04952985  1
  H  H19  1  0.78556471  0.10587148  0.44652928  1
  H  H20  1  0.10937219  0.79081592  0.95046914  1
  H  H21  1  0.21443102  0.89413321  0.55346922  1
  C  C22  1  0.62809039  0.11607070  0.17236691  1
  C  C23  1  0.88635940  0.37265141  0.32106370  1
  C  C24  1  0.37190979  0.88392799  0.82763748  1
  C  C25  1  0.11363708  0.62734870  0.67893337  1
  C  C26  1  0.50016100  0.11875562  0.22840696  1
  C  C27  1  0.88335215  0.49965556  0.26308917  1
  C  C28  1  0.49984072  0.88124138  0.77159614  1
  C  C29  1  0.11664591  0.50034600  0.73690857  1
  C  C30  1  0.47135311  0.14608159  0.35402306  1
  C  C31  1  0.85153772  0.52990810  0.13853841  1
  C  C32  1  0.52864516  0.85391415  0.64597764  1
  C  C33  1  0.14846594  0.47008944  0.86146046  1
  C  C34  1  0.35925439  0.13767434  0.41071748  1
  C  C35  1  0.85685790  0.64341270  0.08178147  1
  C  C36  1  0.64074857  0.86232368  0.58927863  1
  C  C37  1  0.14314709  0.35658612  0.91821375  1
  C  C38  1  0.27419968  0.10248676  0.33989871  1
  C  C39  1  0.89473180  0.72769269  0.15102804  1
  C  C40  1  0.72579969  0.89751345  0.66010256  1
  C  C41  1  0.10527149  0.27230844  0.84897241  1
  C  C42  1  0.29887618  0.08105683  0.21484237  1
  C  C43  1  0.92471026  0.69904113  0.27426024  1
  C  C44  1  0.70112246  0.91894081  0.78515856  1
  C  C45  1  0.07528569  0.30096301  0.72573764  1
  C  C46  1  0.41023045  0.09105670  0.15730757  1
  C  C47  1  0.91579222  0.58766766  0.33258414  1
  C  C48  1  0.58977121  0.90893740  0.84268409  1
  C  C49  1  0.08420392  0.41233560  0.66742360  1
  N  N50  1  0.16287813  0.07901806  0.36981142  1
  N  N51  1  0.91474555  0.84196310  0.12273547  1
  N  N52  1  0.83712019  0.92098499  0.63018804  1
  N  N53  1  0.08525879  0.15803446  0.87726467  1
  N  N54  1  0.11636735  0.04942328  0.26911020  1
  N  N55  1  0.95428726  0.88202792  0.22349330  1
  N  N56  1  0.88363147  0.95057809  0.73089088  1
  N  N57  1  0.04571158  0.11797284  0.77650651  1
  N  N58  1  0.19882700  0.04720758  0.17390074  1
  N  N59  1  0.96405485  0.79499859  0.31468219  1
  N  N60  1  0.80117335  0.95279034  0.82609934  1
  N  N61  1  0.03593864  0.20500511  0.68531841  1
  O  O62  1  0.93282392  0.11166632  0.07089312  1
  O  O63  1  0.88366335  0.06707813  0.42721847  1
  O  O64  1  0.06717797  0.88833295  0.92910754  1
  O  O65  1  0.11633839  0.93292370  0.57277985  1
  O  O66  1  0.70499553  0.14359876  0.24276889  1
  O  O67  1  0.85758703  0.29439475  0.25320800  1
  O  O68  1  0.29500229  0.85640196  0.75722937  1
  O  O69  1  0.14241270  0.70560778  0.74679109  1
  O  O70  1  0.65362208  0.08527654  0.06120314  1
  O  O71  1  0.91907952  0.34922660  0.43173150  1
  O  O72  1  0.34637978  0.91471923  0.93879706  1
  O  O73  1  0.08091635  0.65077644  0.56826912  1
