# generated using pymatgen
data_FeH28C14(NO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.14485549
_cell_length_b   8.07586152
_cell_length_c   8.74771722
_cell_angle_alpha   87.83394596
_cell_angle_beta   90.24517244
_cell_angle_gamma   76.55917053
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH28C14(NO6)2
_chemical_formula_sum   'Fe1 H28 C14 N2 O12'
_cell_volume   490.53086177
_cell_formula_units_Z   1
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  0.49999648  0.99999918  0.49999409  1
  H  H1  1  0.69971858  0.32600045  0.22028749  1
  H  H2  1  0.30028493  0.67400104  0.77971504  1
  H  H3  1  0.85441854  0.45931160  0.42286106  1
  H  H4  1  0.14558906  0.54068387  0.57714659  1
  H  H5  1  0.04668920  0.26931542  0.41724538  1
  H  H6  1  0.95331027  0.73067474  0.58276269  1
  H  H7  1  -0.00404703  0.04599214  0.27369243  1
  H  H8  1  1.00404559  0.95400560  0.72631282  1
  H  H9  1  0.01347726  0.12404044  0.08318517  1
  H  H10  1  0.98653222  0.87595828  0.91682101  1
  H  H11  1  0.83866769  0.56002342  0.18277451  1
  H  H12  1  0.16133676  0.43997757  0.81723410  1
  H  H13  1  0.66616698  0.45842042  0.97229741  1
  H  H14  1  0.33383951  0.54158022  0.02771003  1
  H  H15  1  0.87821636  0.31669086  0.91479761  1
  H  H16  1  0.12179023  0.68331002  0.08520924  1
  H  H17  1  0.17975624  0.42192058  0.24771026  1
  H  H18  1  0.82024918  0.57808022  0.75229585  1
  H  H19  1  0.19595359  0.29543773  0.08484894  1
  H  H20  1  0.80405245  0.70456307  0.91515818  1
  H  H21  1  0.57680603  0.91100641  0.79855940  1
  H  H22  1  0.42319661  0.08899861  0.20143180  1
  H  H23  1  0.69565260  0.04751061  0.73459862  1
  H  H24  1  0.30434801  0.95249365  0.26538304  1
  H  H25  1  0.31246537  0.19540370  0.72135441  1
  H  H26  1  0.68752225  0.80459839  0.27863449  1
  H  H27  1  0.47601891  0.27978645  0.64952322  1
  H  H28  1  0.52396684  0.72021387  0.35046704  1
  C  C29  1  0.89184001  0.32349547  0.39882359  1
  C  C30  1  0.10816088  0.67650096  0.60118203  1
  C  C31  1  0.77821272  0.22785499  0.50152407  1
  C  C32  1  0.22178041  0.77214274  0.49847488  1
  C  C33  1  0.91647753  0.12450776  0.17986009  1
  C  C34  1  0.08352720  0.87549135  0.82014303  1
  C  C35  1  0.74318817  0.05603893  0.13384857  1
  C  C36  1  0.25681616  0.94396401  0.86614885  1
  C  C37  1  0.90621916  0.43933469  0.12985884  1
  C  C38  1  0.09378677  0.56066657  0.87014762  1
  C  C39  1  0.82325411  0.43927019  0.96837469  1
  C  C40  1  0.17675193  0.56073187  0.03163230  1
  C  C41  1  0.12452881  0.41843548  0.13095046  1
  C  C42  1  0.87547596  0.58156653  0.86905597  1
  N  N43  1  0.84738235  0.30465983  0.23286107  1
  N  N44  1  0.15262123  0.69534021  0.76714236  1
  O  O45  1  0.71401669  0.11247735  0.43607750  1
  O  O46  1  0.28597686  0.88752218  0.56391833  1
  O  O47  1  0.75218803  0.26539740  0.63988753  1
  O  O48  1  0.24779919  0.73460053  0.36011134  1
  O  O49  1  0.58621505  0.16578158  0.10461565  1
  O  O50  1  0.41379089  0.83422416  0.89538185  1
  O  O51  1  0.76902381  0.89558633  0.12844219  1
  O  O52  1  0.23097367  0.10441692  0.87155378  1
  O  O53  1  0.66362604  0.93818235  0.71509231  1
  O  O54  1  0.33637108  0.06182158  0.28489464  1
  O  O55  1  0.35885337  0.24144228  0.62332561  1
  O  O56  1  0.64113514  0.75855552  0.37666135  1
