# generated using pymatgen
data_CrFeH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80234848
_cell_length_b   7.87839983
_cell_length_c   7.84585295
_cell_angle_alpha   121.26800575
_cell_angle_beta   100.30193320
_cell_angle_gamma   100.41113334
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeH12(C2O3)4
_chemical_formula_sum   'Cr1 Fe1 H12 C8 O12'
_cell_volume   334.37676706
_cell_formula_units_Z   1
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  0.47562883  0.13963825  0.85377865  1
  Cr  Cr1  1  0.98099534  0.84684451  0.13887802  1
  H  H2  1  0.49321579  0.52054113  0.03776560  1
  H  H3  1  0.00121441  0.03352620  0.51390358  1
  H  H4  1  0.24849316  0.44328885  0.97981013  1
  H  H5  1  0.75651742  0.98040591  0.43218835  1
  H  H6  1  0.85999186  0.43671201  0.15075373  1
  H  H7  1  0.35225688  0.14466078  0.43448008  1
  H  H8  1  0.82413758  0.20770265  0.09985932  1
  H  H9  1  0.31531291  0.08829776  0.19739325  1
  H  H10  1  0.28350440  0.47964245  0.65912914  1
  H  H11  1  0.78892327  0.65833975  0.47532948  1
  H  H12  1  0.22898038  0.47585357  0.34206762  1
  H  H13  1  0.73542118  0.33873289  0.46776785  1
  C  C14  1  0.25533311  0.77410805  0.87259189  1
  C  C15  1  0.76877063  0.86916874  0.77690328  1
  C  C16  1  0.26335156  0.61615232  0.66394148  1
  C  C17  1  0.77505897  0.66167114  0.61304846  1
  C  C18  1  0.22313655  0.60941889  0.48636647  1
  C  C19  1  0.73547916  0.48428186  0.60395089  1
  C  C20  1  0.15756356  0.76016314  0.45193204  1
  C  C21  1  0.66727752  0.45152007  0.75563574  1
  O  O22  1  0.35323365  0.97099254  0.97346504  1
  O  O23  1  0.86227374  0.96167443  0.97794576  1
  O  O24  1  0.14729619  0.70064510  0.95412940  1
  O  O25  1  0.67310194  0.95918671  0.71162224  1
  O  O26  1  0.19091226  0.95280153  0.59661474  1
  O  O27  1  0.71273907  0.59997883  0.95427507  1
  O  O28  1  0.05623438  0.68308872  0.25605320  1
  O  O29  1  0.55197657  0.26496667  0.68040457  1
  O  O30  1  0.75382734  0.31517119  0.12558971  1
  O  O31  1  0.24354320  0.10767928  0.30603546  1
  O  O32  1  0.37567328  0.41819335  0.02849017  1
  O  O33  1  0.88559420  0.02204691  0.40499018  1
