# generated using pymatgen
data_FeH20C18(NO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28010650
_cell_length_b   9.64524262
_cell_length_c   10.51228393
_cell_angle_alpha   68.67146488
_cell_angle_beta   75.73043163
_cell_angle_gamma   83.36857271
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH20C18(NO2)4
_chemical_formula_sum   'Fe1 H20 C18 N4 O8'
_cell_volume   483.11690060
_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  0.49999759  1.00000002  0.50000028  1
  H  H1  1  0.27378472  0.96791581  0.32234622  1
  H  H2  1  0.72621312  0.03208458  0.67765454  1
  H  H3  1  0.06205400  0.87670329  0.46452709  1
  H  H4  1  0.93794108  0.12329899  0.53547299  1
  H  H5  1  0.02927917  0.30815924  0.13361660  1
  H  H6  1  0.97072948  0.69183693  0.86638448  1
  H  H7  1  0.36640782  0.41513740  0.91516528  1
  H  H8  1  0.63360130  0.58485862  0.08483649  1
  H  H9  1  0.07901652  0.19462745  0.70647732  1
  H  H10  1  0.92098050  0.80537826  0.29352051  1
  H  H11  1  0.71617734  0.08698560  0.91418270  1
  H  H12  1  0.28382027  0.91301940  0.08581543  1
  H  H13  1  0.52537999  0.26035597  0.65144529  1
  H  H14  1  0.47462235  0.73964334  0.34855549  1
  H  H15  1  0.60973595  0.38803857  0.72081442  1
  H  H16  1  0.39026607  0.61196433  0.27918207  1
  H  H17  1  0.32447202  0.58455865  0.59111389  1
  H  H18  1  0.67552796  0.41543962  0.40888185  1
  H  H19  1  0.21231044  0.45625381  0.53397022  1
  H  H20  1  0.78768875  0.54374315  0.46602792  1
  C  C21  1  0.74181781  0.69513095  0.65305222  1
  C  C22  1  0.25817690  0.30486526  0.34695044  1
  C  C23  1  0.65319943  0.10685484  0.17564827  1
  C  C24  1  0.34679799  0.89314810  0.82435130  1
  C  C25  1  0.84350579  0.18769514  0.04254738  1
  C  C26  1  0.15649358  0.81230752  0.95745194  1
  C  C27  1  0.02558200  0.28372598  0.04074236  1
  C  C28  1  0.97442158  0.71627303  0.95925811  1
  C  C29  1  0.21703302  0.34227683  0.92194089  1
  C  C30  1  0.78297270  0.65772127  0.07806009  1
  C  C31  1  0.05167833  0.21798225  0.80306383  1
  C  C32  1  0.94832104  0.78202195  0.19693504  1
  C  C33  1  0.85353325  0.16036267  0.91903000  1
  C  C34  1  0.14646499  0.83964138  0.08096913  1
  C  C35  1  0.45522525  0.35618641  0.68455069  1
  C  C36  1  0.54477555  0.64381386  0.31544819  1
  C  C37  1  0.38217255  0.48464303  0.56204994  1
  C  C38  1  0.61782774  0.51535450  0.43794714  1
  N  N39  1  0.74988148  0.79837827  0.54487791  1
  N  N40  1  0.25011266  0.20161980  0.45512742  1
  N  N41  1  0.23400831  0.30537719  0.80664947  1
  N  N42  1  0.76599350  0.69462432  0.19334999  1
  O  O43  1  0.72119590  0.08699945  0.29001131  1
  O  O44  1  0.27879586  0.91300601  0.70998924  1
  O  O45  1  0.44596145  0.06416220  0.16362273  1
  O  O46  1  0.55404055  0.93583786  0.83637519  1
  O  O47  1  0.24931676  0.90266864  0.42348827  1
  O  O48  1  0.75067846  0.09733299  0.57651224  1
  O  O49  1  0.73712238  0.59095657  0.76061541  1
  O  O50  1  0.26287015  0.40903945  0.23938866  1
