# generated using pymatgen
data_FeH22C14N2Cl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34362209
_cell_length_b   9.33871819
_cell_length_c   13.02130403
_cell_angle_alpha   110.01909094
_cell_angle_beta   90.00032471
_cell_angle_gamma   89.99988297
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH22C14N2Cl2O
_chemical_formula_sum   'Fe2 H44 C28 N4 Cl4 O2'
_cell_volume   839.04487437
_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  0.63714150  0.46350665  0.74763859  1
  Fe  Fe1  1  0.13713999  0.53649296  0.25236052  1
  H  H2  1  0.17606765  0.65288899  0.59458437  1
  H  H3  1  0.67606978  0.34711372  0.40541810  1
  H  H4  1  0.88358641  0.52014863  0.58708781  1
  H  H5  1  0.38358004  0.47984242  0.41291060  1
  H  H6  1  0.94990249  0.51761275  0.90611052  1
  H  H7  1  0.44990066  0.48238993  0.09389128  1
  H  H8  1  0.25226875  0.63982543  0.92252457  1
  H  H9  1  0.75226925  0.36018074  0.07747934  1
  H  H10  1  0.13779770  0.90548719  0.74913898  1
  H  H11  1  0.63779639  0.09451121  0.25086042  1
  H  H12  1  0.27549954  0.04058962  0.71541831  1
  H  H13  1  0.77550086  0.95940979  0.28458064  1
  H  H14  1  0.36797854  0.15657550  0.91155608  1
  H  H15  1  0.86797946  0.84342504  0.08844419  1
  H  H16  1  0.30690056  0.93563325  0.97367694  1
  H  H17  1  0.80690110  0.06436726  0.02632259  1
  H  H18  1  0.07127611  0.94993723  0.95201074  1
  H  H19  1  0.57127625  0.05006257  0.04798729  1
  H  H20  1  0.18594802  0.10086331  0.05400314  1
  H  H21  1  0.68594891  0.89913656  0.94599552  1
  H  H22  1  0.08096483  0.29666022  0.97045520  1
  H  H23  1  0.58096706  0.70333969  0.02954051  1
  H  H24  1  0.95728102  0.15414188  0.86806397  1
  H  H25  1  0.45728155  0.84585637  0.13193109  1
  H  H26  1  0.12431796  0.26472296  0.82987124  1
  H  H27  1  0.62431829  0.73527451  0.17012484  1
  H  H28  1  0.70540716  0.87871765  0.76067828  1
  H  H29  1  0.20540642  0.12128145  0.23932145  1
  H  H30  1  0.60396575  0.06288427  0.80258700  1
  H  H31  1  0.10396299  0.93711568  0.19741327  1
  H  H32  1  0.51854469  0.03453736  0.61708930  1
  H  H33  1  0.01854547  0.96546352  0.38291115  1
  H  H34  1  0.82197347  0.02671850  0.53785998  1
  H  H35  1  0.32197736  0.97328314  0.46214005  1
  H  H36  1  0.91426187  0.93437614  0.62491558  1
  H  H37  1  0.41426251  0.06562424  0.37508391  1
  H  H38  1  0.82874314  0.12441655  0.68121690  1
  H  H39  1  0.32874360  0.87558440  0.31878359  1
  H  H40  1  0.60878161  0.80335852  0.45781119  1
  H  H41  1  0.10878419  0.19664165  0.54218923  1
  H  H42  1  0.44448718  0.75873052  0.54312581  1
  H  H43  1  0.94448736  0.24126918  0.45687435  1
  H  H44  1  0.67675972  0.71040011  0.55007627  1
  H  H45  1  0.17675944  0.28960147  0.44992492  1
  C  C46  1  0.23658098  0.66237241  0.76113949  1
  C  C47  1  0.73658196  0.33762991  0.23886243  1
  C  C48  1  0.13145803  0.62671860  0.66595888  1
  C  C49  1  0.63145878  0.37328290  0.33404266  1
  C  C50  1  0.96772251  0.55020443  0.66033748  1
  C  C51  1  0.46771945  0.44979269  0.33966243  1
  C  C52  1  0.00548859  0.54800843  0.83873608  1
  C  C53  1  0.50548784  0.45199367  0.16126554  1
  C  C54  1  0.17415353  0.61818781  0.84767432  1
  C  C55  1  0.67415337  0.38181657  0.15232811  1
  C  C56  1  0.41522617  0.74122554  0.76848411  1
  C  C57  1  0.91522554  0.25877665  0.23151836  1
  C  C58  1  0.25968988  0.97810481  0.77264041  1
  C  C59  1  0.75968904  0.02189471  0.22735907  1
  C  C60  1  0.23829581  0.09388426  0.88930450  1
  C  C61  1  0.73829685  0.90611617  0.11069512  1
  C  C62  1  0.19849592  0.01554124  0.97192171  1
  C  C63  1  0.69849673  0.98445894  0.02807723  1
  C  C64  1  0.09117270  0.20884808  0.88918198  1
  C  C65  1  0.59117389  0.79115130  0.11081451  1
  C  C66  1  0.59551297  0.94636556  0.74313043  1
  C  C67  1  0.09551200  0.05363478  0.25686998  1
  C  C68  1  0.61828323  0.95205917  0.62723568  1
  C  C69  1  0.11828432  0.04794117  0.37276489  1
  C  C70  1  0.80763673  0.01292045  0.61772629  1
  C  C71  1  0.30763826  0.98708087  0.38227401  1
  C  C72  1  0.58480859  0.79724628  0.53947205  1
  C  C73  1  0.08480975  0.20275419  0.46052814  1
  N  N74  1  0.90496823  0.51383419  0.74612655  1
  N  N75  1  0.40496586  0.48616449  0.25387348  1
  N  N76  1  0.42048253  0.87972448  0.75882956  1
  N  N77  1  0.92048054  0.12027624  0.24117111  1
  Cl  Cl78  1  0.53755526  0.32170239  0.57741337  1
  Cl  Cl79  1  0.03755601  0.67829527  0.42258542  1
  Cl  Cl80  1  0.58633700  0.36775473  0.88446780  1
  Cl  Cl81  1  0.08633775  0.63224311  0.11553011  1
  O  O82  1  0.56453032  0.68094299  0.78454859  1
  O  O83  1  0.06452999  0.31905721  0.21545333  1
