# generated using pymatgen
data_FeHC4O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74268852
_cell_length_b   15.23236397
_cell_length_c   15.27655877
_cell_angle_alpha   117.95008138
_cell_angle_beta   98.42327124
_cell_angle_gamma   97.82108912
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHC4O3
_chemical_formula_sum   'Fe6 H6 C24 O18'
_cell_volume   1332.88071816
_cell_formula_units_Z   6
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  0.48730108  0.27711785  0.60684020  1
  Fe  Fe1  1  0.21260233  0.33024955  0.72602527  1
  Fe  Fe2  1  0.88040393  0.39713292  0.67173542  1
  Fe  Fe3  1  0.52647798  0.72595374  0.39416429  1
  Fe  Fe4  1  0.78171565  0.67633244  0.26896383  1
  Fe  Fe5  1  0.11557510  0.58819530  0.32284571  1
  H  H6  1  0.81914654  0.44079417  0.46628806  1
  H  H7  1  0.38165993  0.02143977  0.55599097  1
  H  H8  1  0.35071980  0.53593998  0.97549675  1
  H  H9  1  0.17595972  0.55381385  0.52895431  1
  H  H10  1  0.63015921  0.98051612  0.45231803  1
  H  H11  1  0.64859787  0.47015365  0.02426161  1
  C  C12  1  0.22599074  0.42110717  0.58838321  1
  C  C13  1  0.81233454  0.17030495  0.58323092  1
  C  C14  1  0.63900338  0.41333648  0.83332463  1
  C  C15  1  0.76443660  0.56829482  0.40146622  1
  C  C16  1  0.19172251  0.82816948  0.42562636  1
  C  C17  1  0.35857147  0.59666531  0.16696560  1
  C  C18  1  0.37015057  0.45833693  0.54320311  1
  C  C19  1  0.91917985  0.08713805  0.54512449  1
  C  C20  1  0.82711100  0.45793398  0.91526082  1
  C  C21  1  0.62231972  0.53421472  0.44981997  1
  C  C22  1  0.09200280  0.91508650  0.46384529  1
  C  C23  1  0.17188378  0.54926444  0.08431514  1
  C  C24  1  0.55738151  0.42540663  0.52621053  1
  C  C25  1  0.13786401  0.10064599  0.57562447  1
  C  C26  1  0.03060517  0.47592784  0.89983525  1
  C  C27  1  0.43616226  0.56789849  0.46733857  1
  C  C28  1  0.87472299  0.90277202  0.43368618  1
  C  C29  1  0.96870842  0.53033203  0.09971504  1
  C  C30  1  0.67681359  0.46506417  0.47961292  1
  C  C31  1  0.21640542  0.01280011  0.53325831  1
  C  C32  1  0.19585803  0.52161040  0.98584945  1
  C  C33  1  0.31765984  0.52910975  0.51479524  1
  C  C34  1  0.79540083  0.98944686  0.47498215  1
  C  C35  1  0.80355205  0.48459930  0.01397377  1
  O  O36  1  0.24764160  0.34180673  0.59810957  1
  O  O37  1  0.91087119  0.25902327  0.66166367  1
  O  O38  1  0.64963313  0.40391891  0.74446796  1
  O  O39  1  0.74148243  0.64429768  0.38740827  1
  O  O40  1  0.08440729  0.73900573  0.35337718  1
  O  O41  1  0.34484033  0.61391462  0.25728514  1
  O  O42  1  0.07800872  0.46221636  0.61657982  1
  O  O43  1  0.62444058  0.15797203  0.54291548  1
  O  O44  1  0.46374116  0.38468991  0.84555918  1
  O  O45  1  0.91219976  0.52582427  0.37545470  1
  O  O46  1  0.38200086  0.84073041  0.46270871  1
  O  O47  1  0.53649234  0.62112262  0.15326431  1
  O  O48  1  0.62684566  0.36004865  0.55206015  1
  O  O49  1  0.27038499  0.19103578  0.64135086  1
  O  O50  1  0.07407598  0.45152317  0.80910209  1
  O  O51  1  0.36746516  0.63265827  0.43961530  1
  O  O52  1  0.74100637  0.81219274  0.36800451  1
  O  O53  1  0.92830892  0.55491614  0.19174143  1
