# generated using pymatgen
data_MnCoNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.89468685
_cell_length_b   10.89293661
_cell_length_c   10.86779259
_cell_angle_alpha   89.22262456
_cell_angle_beta   89.00694133
_cell_angle_gamma   63.66033938
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoNiH8C14(NO)6
_chemical_formula_sum   'Mn2 Co2 Ni2 H16 C28 N12 O12'
_cell_volume   1155.63717855
_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  0.89497369  0.10521024  0.24941070  1
  Mn  Mn1  1  0.10502785  0.89479325  0.75058728  1
  Ni  Ni2  1  0.85913835  0.98357174  -0.00588576  1
  Co  Co3  1  0.01658531  0.14073342  0.50521755  1
  Ni  Ni4  1  0.14086280  0.01642484  1.00588604  1
  Co  Co5  1  0.98341181  0.85927056  0.49478298  1
  H  H6  1  0.53826499  0.16741569  0.41078911  1
  H  H7  1  0.83181290  0.46297394  0.08854421  1
  H  H8  1  0.46173907  0.83257354  0.58921446  1
  H  H9  1  0.16819131  0.53702779  0.91145205  1
  H  H10  1  0.33388927  0.15629697  0.50965966  1
  H  H11  1  0.84158685  0.66767047  0.98984846  1
  H  H12  1  0.66611003  0.84370091  0.49034178  1
  H  H13  1  0.15842184  0.33232953  0.01014971  1
  H  H14  1  0.42443481  0.07503965  0.05525699  1
  H  H15  1  0.92885456  0.57584108  0.44265814  1
  H  H16  1  0.57556504  0.92495557  0.94474563  1
  H  H17  1  0.07113633  0.42416485  0.55734173  1
  H  H18  1  0.87583469  0.20833857  0.02511306  1
  H  H19  1  0.78891015  0.12539866  0.47409777  1
  H  H20  1  0.12416589  0.79166027  0.97488346  1
  H  H21  1  0.21108716  0.87460579  0.52589902  1
  C  C22  1  0.62298580  0.11848737  0.17184255  1
  C  C23  1  0.88190859  0.37929261  0.32796576  1
  C  C24  1  0.37701726  0.88150453  0.82815897  1
  C  C25  1  0.11808657  0.62071215  0.67203208  1
  C  C26  1  0.49612461  0.11857260  0.22741574  1
  C  C27  1  0.88177065  0.50527476  0.27122357  1
  C  C28  1  0.50387809  0.88142095  0.77258698  1
  C  C29  1  0.11822667  0.49472926  0.72877473  1
  C  C30  1  0.46861521  0.14432038  0.35536671  1
  C  C31  1  0.85505237  0.53281125  0.14365696  1
  C  C32  1  0.53138660  0.85567194  0.64463665  1
  C  C33  1  0.14495024  0.46719069  0.85634042  1
  C  C34  1  0.35570543  0.13869064  0.41165925  1
  C  C35  1  0.86022493  0.64589926  0.08760371  1
  C  C36  1  0.64429366  0.86130558  0.58834218  1
  C  C37  1  0.13977983  0.35410224  0.91239492  1
  C  C38  1  0.26931565  0.10853019  0.33737191  1
  C  C39  1  0.89196055  0.73200658  0.16132830  1
  C  C40  1  0.73068152  0.89146905  0.66262859  1
  C  C41  1  0.10804412  0.26799450  0.83867053  1
  C  C42  1  0.29518532  0.08437567  0.21054969  1
  C  C43  1  0.91770555  0.70495796  0.28763396  1
  C  C44  1  0.70481448  0.91562132  0.78945132  1
  C  C45  1  0.08229344  0.29504523  0.71236592  1
  C  C46  1  0.40763347  0.09133942  0.15373482  1
  C  C47  1  0.91062730  0.59290269  0.34455708  1
  C  C48  1  0.59236919  0.90865566  0.84626816  1
  C  C49  1  0.08936833  0.40710195  0.65544201  1
  N  N50  1  0.15697767  0.08636463  0.36465433  1
  N  N51  1  0.91474088  0.84361926  0.13420080  1
  N  N52  1  0.84301558  0.91364048  0.63534480  1
  N  N53  1  0.08526749  0.15637872  0.86579908  1
  N  N54  1  0.12259932  0.04138746  0.26368129  1
  N  N55  1  0.96255130  0.87616860  0.23438368  1
  N  N56  1  0.87739497  0.95861958  0.73631789  1
  N  N57  1  0.03745417  0.12383054  0.76561766  1
  N  N58  1  0.19715406  0.04848733  0.16774159  1
  N  N59  1  0.95667062  0.80070106  0.33032972  1
  N  N60  1  0.80284272  0.95151425  0.83225763  1
  N  N61  1  0.04333063  0.19929919  0.66967165  1
  O  O62  1  0.92629491  0.11531858  0.05669823  1
  O  O63  1  0.88277190  0.07435935  0.44405802  1
  O  O64  1  0.07370582  0.88468118  0.94330044  1
  O  O65  1  0.11722651  0.92564418  0.55594080  1
  O  O66  1  0.68848620  0.15832758  0.24378096  1
  O  O67  1  0.84326711  0.31174949  0.25733453  1
  O  O68  1  0.31151402  0.84166742  0.75622054  1
  O  O69  1  0.15672949  0.68825388  0.74266344  1
  O  O70  1  0.65617483  0.07796742  0.06140187  1
  O  O71  1  0.92155775  0.34865938  0.43880921  1
  O  O72  1  0.34382718  0.92202320  0.93859980  1
  O  O73  1  0.07843528  0.65134626  0.56118894  1
