# generated using pymatgen
data_MnFeNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.90882318
_cell_length_b   10.90813986
_cell_length_c   10.92244274
_cell_angle_alpha   89.10805880
_cell_angle_beta   88.88633476
_cell_angle_gamma   63.57489563
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeNiH8C14(NO)6
_chemical_formula_sum   'Mn2 Fe2 Ni2 H16 C28 N12 O12'
_cell_volume   1163.66276056
_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  0.90230691  0.09760441  0.24916689  1
  Ni  Ni1  1  0.09769279  0.90239843  0.75083277  1
  Fe  Fe2  1  0.85554666  0.99768399  -0.00889422  1
  Mn  Mn3  1  -0.00096486  0.14864408  0.50766348  1
  Fe  Fe4  1  0.14445366  0.00231424  1.00889412  1
  Mn  Mn5  1  1.00096214  0.85136057  0.49233637  1
  H  H6  1  0.54016681  0.17117851  0.40948393  1
  H  H7  1  0.82701433  0.45899183  0.08668643  1
  H  H8  1  0.45983680  0.82881189  0.59051938  1
  H  H9  1  0.17298945  0.54100873  0.91331069  1
  H  H10  1  0.33816127  0.15685477  0.50950572  1
  H  H11  1  0.83793092  0.66147784  0.98443242  1
  H  H12  1  0.66183839  0.84314204  0.49049559  1
  H  H13  1  0.16207871  0.33851997  0.01556477  1
  H  H14  1  0.42660669  0.07847555  0.05658314  1
  H  H15  1  0.92712620  0.57495193  0.43553383  1
  H  H16  1  0.57339614  0.92151867  0.94341836  1
  H  H17  1  0.07286456  0.42505362  0.56446672  1
  H  H18  1  0.88928587  0.21152295  0.04759205  1
  H  H19  1  0.78249586  0.10821888  0.44569968  1
  H  H20  1  0.11071321  0.78847780  0.95240400  1
  H  H21  1  0.21750139  0.89178555  0.55429736  1
  C  C22  1  0.62705079  0.11863315  0.17193158  1
  C  C23  1  0.88275564  0.37491451  0.32486482  1
  C  C24  1  0.37295139  0.88136109  0.82807128  1
  C  C25  1  0.11724028  0.62508889  0.67513378  1
  C  C26  1  0.49981584  0.11983287  0.22784329  1
  C  C27  1  0.88044356  0.50135006  0.26671567  1
  C  C28  1  0.50018609  0.88016122  0.77215842  1
  C  C29  1  0.11955408  0.49865288  0.73328307  1
  C  C30  1  0.47182746  0.14590537  0.35503613  1
  C  C31  1  0.85214127  0.52844086  0.13990513  1
  C  C32  1  0.52817490  0.85408807  0.64496593  1
  C  C33  1  0.14786108  0.47155972  0.86009247  1
  C  C34  1  0.35974606  0.13876539  0.41194062  1
  C  C35  1  0.85733955  0.64082463  0.08182108  1
  C  C36  1  0.64025418  0.86123115  0.58806072  1
  C  C37  1  0.14266687  0.35917443  0.91817714  1
  C  C38  1  0.27477002  0.10589078  0.33899705  1
  C  C39  1  0.89124398  0.72659426  0.15267276  1
  C  C40  1  0.72522835  0.89410937  0.66100362  1
  C  C41  1  0.10876112  0.27340443  0.84732658  1
  C  C42  1  0.29962231  0.08439574  0.21253470  1
  C  C43  1  0.91841592  0.70046470  0.27825335  1
  C  C44  1  0.70037681  0.91560369  0.78746598  1
  C  C45  1  0.08158285  0.29953733  0.72174703  1
  C  C46  1  0.41067620  0.09300442  0.15490825  1
  C  C47  1  0.90969198  0.59039417  0.33764519  1
  C  C48  1  0.58932541  0.90699127  0.84509387  1
  C  C49  1  0.09030286  0.40960988  0.66235473  1
  N  N50  1  0.16404254  0.08275064  0.36791064  1
  N  N51  1  0.91402253  0.83840835  0.12396265  1
  N  N52  1  0.83595258  0.91725405  0.63208909  1
  N  N53  1  0.08598634  0.16158842  0.87603602  1
  N  N54  1  0.12127699  0.04908301  0.26657231  1
  N  N55  1  0.95632429  0.87602420  0.22487208  1
  N  N56  1  0.87871768  0.95092288  0.73342701  1
  N  N57  1  0.04367941  0.12397499  0.77512797  1
  N  N58  1  0.20039985  0.05038170  0.17069992  1
  N  N59  1  0.95900544  0.79509974  0.31811973  1
  N  N60  1  0.79959682  0.94962171  0.82930016  1
  N  N61  1  0.04099223  0.20490310  0.68188147  1
  O  O62  1  0.93347739  0.11418710  0.06736004  1
  O  O63  1  0.88102559  0.06509738  0.43042036  1
  O  O64  1  0.06652237  0.88581340  0.93263799  1
  O  O65  1  0.11897238  0.93490629  0.56957914  1
  O  O66  1  0.69829627  0.15194871  0.24223341  1
  O  O67  1  0.85065657  0.30090936  0.25671620  1
  O  O68  1  0.30170415  0.84804807  0.75776777  1
  O  O69  1  0.14933951  0.69909418  0.74328180  1
  O  O70  1  0.65513179  0.08249667  0.05999353  1
  O  O71  1  0.91923142  0.34978680  0.43676994  1
  O  O72  1  0.34487224  0.91749461  0.94000851  1
  O  O73  1  0.08076340  0.65021682  0.56322899  1
