# generated using pymatgen
data_FeH10C14(N3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17182988
_cell_length_b   9.39594707
_cell_length_c   9.39594250
_cell_angle_alpha   81.22279778
_cell_angle_beta   75.62478180
_cell_angle_gamma   75.62493493
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH10C14(N3O2)2
_chemical_formula_sum   'Fe2 H20 C28 N12 O8'
_cell_volume   756.23643284
_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  0.74361102  0.95337114  0.70733137  1
  Fe  Fe1  1  0.24360855  0.70732979  0.95337989  1
  H  H2  1  0.38025789  0.02025359  0.61308538  1
  H  H3  1  0.88026214  0.61308489  0.02024884  1
  H  H4  1  0.60512250  0.49701614  0.77970382  1
  H  H5  1  0.10511642  0.77970353  0.49702535  1
  H  H6  1  0.86993910  0.87852015  0.16862510  1
  H  H7  1  0.36994275  0.16862319  0.87851617  1
  H  H8  1  0.08652033  0.30971360  0.23767378  1
  H  H9  1  0.58652706  0.23768326  0.30972004  1
  H  H10  1  0.57549865  0.93025273  0.07841777  1
  H  H11  1  0.07549786  0.07842195  0.93023242  1
  H  H12  1  0.96060922  0.11361781  0.40014897  1
  H  H13  1  0.46060856  0.40015235  0.11362483  1
  H  H14  1  0.79785536  0.63933862  0.52581987  1
  H  H15  1  0.29784467  0.52581651  0.63934898  1
  H  H16  1  0.19484500  0.03332370  0.45512183  1
  H  H17  1  0.69484872  0.45512460  0.03330909  1
  H  H18  1  0.29029118  0.99004520  0.18769868  1
  H  H19  1  0.79029452  0.18770276  0.99002424  1
  H  H20  1  0.99877789  0.57165690  0.29558763  1
  H  H21  1  0.49877511  0.29559253  0.57166504  1
  C  C22  1  0.42030777  0.00003964  0.49736002  1
  C  C23  1  0.92031198  0.49736027  0.00003204  1
  C  C24  1  0.44526417  0.90227657  0.86857137  1
  C  C25  1  0.94526311  0.86856475  0.90228432  1
  C  C26  1  0.55277657  0.74896482  0.83443559  1
  C  C27  1  0.05277942  0.83443504  0.74897311  1
  C  C28  1  0.99738447  0.33821771  0.33652551  1
  C  C29  1  0.49738553  0.33653059  0.33822484  1
  C  C30  1  0.53002965  0.94864635  0.19408099  1
  C  C31  1  0.03003209  0.19408413  0.94863052  1
  C  C32  1  0.82887591  0.26674647  0.55839588  1
  C  C33  1  0.32886804  0.55839427  0.26675615  1
  C  C34  1  0.93420511  0.22706504  0.42789152  1
  C  C35  1  0.43420284  0.42789383  0.22707265  1
  C  C36  1  0.83835617  0.52606943  0.49784635  1
  C  C37  1  0.33834819  0.49784637  0.52607871  1
  C  C38  1  0.78120020  0.41342900  0.59188123  1
  C  C39  1  0.28119133  0.59187980  0.41343844  1
  C  C40  1  0.63114155  0.93706547  0.28622683  1
  C  C41  1  0.13114517  0.28622779  0.93705591  1
  C  C42  1  0.31840982  0.00829789  0.40697883  1
  C  C43  1  0.81841341  0.40698082  0.00828587  1
  C  C44  1  0.37188642  0.98387608  0.25666013  1
  C  C45  1  0.87188918  0.25666348  0.98385980  1
  C  C46  1  0.94898800  0.48625730  0.37001130  1
  C  C47  1  0.44898505  0.37001486  0.48626497  1
  C  C48  1  0.57826218  0.96486550  0.43423231  1
  C  C49  1  0.07826658  0.43423216  0.96485891  1
  N  N50  1  0.83309867  0.92689789  0.38405828  1
  N  N51  1  0.33310352  0.38405530  0.92689282  1
  N  N52  1  0.65607683  0.27169346  0.76994301  1
  N  N53  1  0.15607077  0.76994223  0.27170119  1
  N  N54  1  0.70874720  0.95793537  0.48823053  1
  N  N55  1  0.20875263  0.48822867  0.95793027  1
  N  N56  1  0.67421907  0.40817087  0.72277293  1
  N  N57  1  0.17420889  0.72277032  0.40817995  1
  N  N58  1  0.74661258  0.18501230  0.67236388  1
  N  N59  1  0.24660295  0.67235942  0.18502190  1
  N  N60  1  0.78860366  0.91401544  0.26330851  1
  N  N61  1  0.28860757  0.26330748  0.91400809  1
  O  O62  1  0.49343514  0.63695564  0.88097655  1
  O  O63  1  0.99343623  0.88097705  0.63696149  1
  O  O64  1  0.50146872  0.01532776  0.81772346  1
  O  O65  1  1.00146692  0.81772250  0.01533429  1
  O  O66  1  0.30956785  0.90675506  0.94238077  1
  O  O67  1  0.80956094  0.94236687  0.90676341  1
  O  O68  1  0.68898886  0.74441091  0.76207902  1
  O  O69  1  0.18899038  0.76208566  0.74441676  1
