# generated using pymatgen
data_FeH6(C2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81382925
_cell_length_b   7.89286931
_cell_length_c   7.86713820
_cell_angle_alpha   121.28980102
_cell_angle_beta   100.26684779
_cell_angle_gamma   100.42295865
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH6(C2O3)2
_chemical_formula_sum   'Fe2 H12 C8 O12'
_cell_volume   336.42900449
_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  0.47487906  0.14020751  0.85407654  1
  Fe  Fe1  1  0.97524760  0.85440027  0.14124045  1
  H  H2  1  0.49315402  0.51906858  0.03356106  1
  H  H3  1  -0.00259335  0.03932727  0.52310546  1
  H  H4  1  0.25016775  0.44490976  0.98187138  1
  H  H5  1  0.75420996  0.98783301  0.44781525  1
  H  H6  1  0.85997086  0.43602965  0.15281488  1
  H  H7  1  0.36138571  0.15203937  0.43529578  1
  H  H8  1  0.82181919  0.20319974  0.09404884  1
  H  H9  1  0.32088285  0.09469730  0.20228876  1
  H  H10  1  0.28578834  0.47477387  0.65555011  1
  H  H11  1  0.78942681  0.65707894  0.47586258  1
  H  H12  1  0.23347323  0.47358661  0.34084226  1
  H  H13  1  0.74001230  0.34319073  0.47363840  1
  C  C14  1  0.26483656  0.76998548  0.87277806  1
  C  C15  1  0.76380636  0.87111212  0.77099258  1
  C  C16  1  0.26794223  0.61129097  0.66030985  1
  C  C17  1  0.77080410  0.66095724  0.61233250  1
  C  C18  1  0.22697976  0.60560218  0.48555167  1
  C  C19  1  0.73230183  0.48643915  0.60630706  1
  C  C20  1  0.15496123  0.75450890  0.44933060  1
  C  C21  1  0.65843212  0.44842476  0.75405897  1
  O  O22  1  0.35546803  0.96731349  0.96529483  1
  O  O23  1  0.85598949  0.96541269  0.96901789  1
  O  O24  1  0.17002309  0.69758851  0.95874741  1
  O  O25  1  0.66519265  0.95396260  0.69773729  1
  O  O26  1  0.19339785  0.94682296  0.59691653  1
  O  O27  1  0.69297246  0.59599010  0.94599645  1
  O  O28  1  0.04788066  0.67647808  0.25850989  1
  O  O29  1  0.55443878  0.25742919  0.67629104  1
  O  O30  1  0.75236040  0.31223930  0.12309611  1
  O  O31  1  0.25296034  0.12403352  0.31302337  1
  O  O32  1  0.37677683  0.41743001  0.02729840  1
  O  O33  1  0.88162126  0.03373234  0.42148836  1
