# generated using pymatgen
data_FeH12C20(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19902785
_cell_length_b   10.06966515
_cell_length_c   10.06861443
_cell_angle_alpha   60.95598610
_cell_angle_beta   85.48971094
_cell_angle_gamma   85.48783136
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH12C20(NO2)2
_chemical_formula_sum   'Fe2 H24 C40 N4 O8'
_cell_volume   811.97857786
_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  0.47873596  0.43713179  0.32233580  1
  Fe  Fe1  1  0.97877550  0.32229540  0.43712110  1
  H  H2  1  0.96115201  0.97840032  0.39929117  1
  H  H3  1  0.46120262  0.39929605  0.97837835  1
  H  H4  1  0.96138572  0.72590805  0.41114154  1
  H  H5  1  0.46146264  0.41115232  0.72585131  1
  H  H6  1  0.49670320  0.78134164  0.35899876  1
  H  H7  1  0.99678391  0.35903780  0.78122169  1
  H  H8  1  0.49653835  0.03396448  0.34693007  1
  H  H9  1  0.99659815  0.34691445  0.03389399  1
  H  H10  1  0.21270810  0.65371450  0.37157746  1
  H  H11  1  0.71286586  0.37161800  0.65365239  1
  H  H12  1  0.12660394  0.92180575  0.23958433  1
  H  H13  1  0.62664250  0.23960896  0.92174038  1
  H  H14  1  0.22487083  0.09423812  0.97362153  1
  H  H15  1  0.72485254  0.97363499  0.09419262  1
  H  H16  1  0.38712017  0.11944854  0.75106065  1
  H  H17  1  0.88708613  0.75107176  0.11946475  1
  H  H18  1  0.56771846  0.00593161  0.63815557  1
  H  H19  1  0.06770542  0.63814890  0.00596844  1
  H  H20  1  0.73137108  0.78366049  0.66488052  1
  H  H21  1  0.23138400  0.66483636  0.78371187  1
  H  H22  1  0.83148267  0.51899264  0.83885213  1
  H  H23  1  0.33150217  0.83876029  0.51901843  1
  H  H24  1  0.74571773  0.38826697  0.10711848  1
  H  H25  1  0.24573210  0.10700765  0.38823385  1
  C  C26  1  0.72808465  0.17211086  0.37334034  1
  C  C27  1  0.22811133  0.37325938  0.17211684  1
  C  C28  1  0.72871765  0.02247296  0.37403183  1
  C  C29  1  0.22877754  0.37398309  0.02244829  1
  C  C30  1  0.85921985  0.93572682  0.38936781  1
  C  C31  1  0.35927998  0.38939786  0.93567585  1
  C  C32  1  0.85933450  0.79391172  0.39561491  1
  C  C33  1  0.35940523  0.39563706  0.79384890  1
  C  C34  1  0.72908778  0.73707087  0.38466983  1
  C  C35  1  0.22917006  0.38465167  0.73700944  1
  C  C36  1  0.59862014  0.82396168  0.36903776  1
  C  C37  1  0.09869021  0.36907790  0.82386506  1
  C  C38  1  0.59851790  0.96579937  0.36271974  1
  C  C39  1  0.09857953  0.36272284  0.96573070  1
  C  C40  1  0.72959700  0.58713604  0.38597482  1
  C  C41  1  0.22968221  0.38590343  0.58708682  1
  C  C42  1  0.26128323  0.72909642  0.26002472  1
  C  C43  1  0.76139311  0.26004294  0.72906046  1
  C  C44  1  0.21003646  0.88125984  0.18345703  1
  C  C45  1  0.71008803  0.18348214  0.88121596  1
  C  C46  1  0.26363895  0.97614856  0.03792014  1
  C  C47  1  0.76365379  0.03793308  0.97610534  1
  C  C48  1  0.36963042  0.91651358  0.97025121  1
  C  C49  1  0.86965917  0.97024118  0.91651482  1
  C  C50  1  0.42705686  0.00193658  0.81889976  1
  C  C51  1  0.92705560  0.81889222  0.00195496  1
  C  C52  1  0.52811465  0.93858848  0.75585944  1
  C  C53  1  0.02811716  0.75584794  0.93861211  1
  C  C54  1  0.58632021  0.78770968  0.84209665  1
  C  C55  1  0.08633641  0.84207121  0.78771962  1
  C  C56  1  0.69280805  0.71990025  0.78308635  1
  C  C57  1  0.19282450  0.78304145  0.71993310  1
  C  C58  1  0.74738866  0.57504892  0.87881113  1
  C  C59  1  0.24741114  0.87873283  0.57506257  1
  C  C60  1  0.69643772  0.49918109  0.03111544  1
  C  C61  1  0.19645916  0.03102776  0.49917379  1
  C  C62  1  0.53463621  0.70029631  0.99649749  1
  C  C63  1  0.03468055  0.99646674  0.70028825  1
  C  C64  1  0.42172623  0.76239132  0.05842312  1
  C  C65  1  0.92178703  0.05841144  0.76239174  1
  N  N66  1  0.58977795  0.55773873  0.08926360  1
  N  N67  1  0.08982850  0.08920728  0.55771787  1
  N  N68  1  0.36738111  0.67029106  0.20154162  1
  N  N69  1  0.86749495  0.20154103  0.67028402  1
  O  O70  1  0.60645286  0.52615021  0.41339200  1
  O  O71  1  0.10656241  0.41339721  0.52602653  1
  O  O72  1  0.85120233  0.53484955  0.35905166  1
  O  O73  1  0.35127874  0.35887497  0.53486723  1
  O  O74  1  0.85122119  0.23306459  0.34627531  1
  O  O75  1  0.35124553  0.34624038  0.23307635  1
  O  O76  1  0.60641423  0.22431431  0.40018119  1
  O  O77  1  0.10641572  0.40005738  0.22432042  1
