# generated using pymatgen
data_Fe2NiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88487614
_cell_length_b   10.87935965
_cell_length_c   10.87337946
_cell_angle_alpha   89.21377320
_cell_angle_beta   89.00412848
_cell_angle_gamma   63.71007830
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2NiH8C14(NO)6
_chemical_formula_sum   'Fe4 Ni2 H16 C28 N12 O12'
_cell_volume   1154.24346989
_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
  Fe  Fe0  1  0.90022197  0.10181940  0.25499294  1
  Fe  Fe1  1  0.09977539  0.89818307  0.74500591  1
  Fe  Fe2  1  0.85770755  0.99427872  -0.00386914  1
  Ni  Ni3  1  0.01734023  0.14040241  0.50598132  1
  Fe  Fe4  1  0.14229483  0.00571816  1.00387032  1
  Ni  Ni5  1  0.98265617  0.85960231  0.49401880  1
  H  H6  1  0.53766617  0.16833040  0.41502751  1
  H  H7  1  0.83050704  0.46269269  0.08954060  1
  H  H8  1  0.46233715  0.83165906  0.58497607  1
  H  H9  1  0.16949707  0.53730865  0.91045538  1
  H  H10  1  0.33317537  0.15716764  0.51386848  1
  H  H11  1  0.84257363  0.66731297  0.99146515  1
  H  H12  1  0.66682290  0.84283072  0.48613345  1
  H  H13  1  0.15743470  0.33268665  0.00853201  1
  H  H14  1  0.42482294  0.07531309  0.05973432  1
  H  H15  1  0.92659324  0.57363608  0.44450633  1
  H  H16  1  0.57517893  0.92468131  0.94026841  1
  H  H17  1  0.07339796  0.42636993  0.55549363  1
  H  H18  1  0.88194530  0.21816497  0.04055896  1
  H  H19  1  0.79120000  0.12394488  0.47010972  1
  H  H20  1  0.11805431  0.78183485  0.95943839  1
  H  H21  1  0.20879624  0.87606066  0.52988717  1
  C  C22  1  0.62324718  0.11904108  0.17541386  1
  C  C23  1  0.88228923  0.37539401  0.32709599  1
  C  C24  1  0.37675487  0.88095167  0.82458835  1
  C  C25  1  0.11770687  0.62461055  0.67290190  1
  C  C26  1  0.49696228  0.11871545  0.23194490  1
  C  C27  1  0.88299002  0.50223321  0.27207598  1
  C  C28  1  0.50303963  0.88127750  0.76805766  1
  C  C29  1  0.11700631  0.49777115  0.72792158  1
  C  C30  1  0.46853876  0.14429817  0.35972426  1
  C  C31  1  0.85613766  0.53084566  0.14490659  1
  C  C32  1  0.53146345  0.85569384  0.64027798  1
  C  C33  1  0.14386392  0.46915697  0.85509050  1
  C  C34  1  0.35471555  0.13922876  0.41574009  1
  C  C35  1  0.86159831  0.64433067  0.08911223  1
  C  C36  1  0.64528457  0.86076782  0.58426157  1
  C  C37  1  0.13840738  0.35567061  0.91088559  1
  C  C38  1  0.26787123  0.10912463  0.34140253  1
  C  C39  1  0.89319506  0.72970913  0.16358193  1
  C  C40  1  0.73212667  0.89087550  0.65859826  1
  C  C41  1  0.10681184  0.27029005  0.83641678  1
  C  C42  1  0.29481216  0.08633341  0.21480215  1
  C  C43  1  0.91721405  0.70415275  0.29001207  1
  C  C44  1  0.70518675  0.91366443  0.78519906  1
  C  C45  1  0.08278429  0.29585038  0.70998804  1
  C  C46  1  0.40788596  0.09192517  0.15818832  1
  C  C47  1  0.91070238  0.59083414  0.34614259  1
  C  C48  1  0.59211518  0.90806863  0.84181293  1
  C  C49  1  0.08929131  0.40917026  0.65385701  1
  N  N50  1  0.15523133  0.08608796  0.36713951  1
  N  N51  1  0.91484154  0.84216240  0.13576824  1
  N  N52  1  0.84476218  0.91391826  0.63286087  1
  N  N53  1  0.08517229  0.15783215  0.86422987  1
  N  N54  1  0.12295421  0.04019984  0.26552897  1
  N  N55  1  0.96034607  0.87714780  0.23611746  1
  N  N56  1  0.87703908  0.95980728  0.73446917  1
  N  N57  1  0.03966060  0.12285039  0.76388213  1
  N  N58  1  0.19779975  0.05013328  0.17057557  1
  N  N59  1  0.95206126  0.80356577  0.33229354  1
  N  N60  1  0.80219694  0.94986991  0.82942483  1
  N  N61  1  0.04793796  0.19643695  0.66770659  1
  O  O62  1  0.93009396  0.12125042  0.06149027  1
  O  O63  1  0.88540835  0.07362614  0.44093002  1
  O  O64  1  0.06990634  0.87874941  0.93850638  1
  O  O65  1  0.11458942  0.92637742  0.55907030  1
  O  O66  1  0.69290751  0.15461115  0.24642400  1
  O  O67  1  0.84644675  0.30752236  0.25356461  1
  O  O68  1  0.30709435  0.84538340  0.75357910  1
  O  O69  1  0.15354868  0.69248103  0.74643382  1
  O  O70  1  0.65285026  0.08148261  0.06345594  1
  O  O71  1  0.91850776  0.34505963  0.43852771  1
  O  O72  1  0.34715411  0.91850806  0.93654839  1
  O  O73  1  0.08148790  0.65494500  0.56147073  1
