# generated using pymatgen
data_CrFeH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80365985
_cell_length_b   7.87168129
_cell_length_c   7.85526329
_cell_angle_alpha   121.26387595
_cell_angle_beta   100.23928127
_cell_angle_gamma   100.46786323
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeH12(C2O3)4
_chemical_formula_sum   'Cr1 Fe1 H12 C8 O12'
_cell_volume   334.58878928
_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
  Cr  Cr0  1  0.48072275  0.13672166  0.84494827  1
  Fe  Fe1  1  0.97804360  0.85430687  0.14126720  1
  H  H2  1  0.49716218  0.50907772  0.02633571  1
  H  H3  1  -0.00237932  0.04387846  0.52535525  1
  H  H4  1  0.25234831  0.42472022  0.97123900  1
  H  H5  1  0.75343541  0.98786894  0.44808743  1
  H  H6  1  0.84970745  0.43532036  0.14466459  1
  H  H7  1  0.36103209  0.15005825  0.43497914  1
  H  H8  1  0.81579422  0.19789845  0.08605065  1
  H  H9  1  0.32394180  0.10206677  0.20648677  1
  H  H10  1  0.28461616  0.47391396  0.65575755  1
  H  H11  1  0.78437456  0.65965568  0.48082983  1
  H  H12  1  0.23051785  0.46750705  0.33817388  1
  H  H13  1  0.73693248  0.34491596  0.47699960  1
  C  C14  1  0.27177396  0.77686764  0.87122414  1
  C  C15  1  0.75306083  0.87013731  0.77551584  1
  C  C16  1  0.27180085  0.61225436  0.66090862  1
  C  C17  1  0.76416185  0.66395622  0.61738191  1
  C  C18  1  0.23071879  0.60402783  0.48346051  1
  C  C19  1  0.72741110  0.48679663  0.61032378  1
  C  C20  1  0.16228975  0.75526386  0.45147862  1
  C  C21  1  0.66120907  0.45203030  0.76116220  1
  O  O22  1  0.36269098  0.97754778  0.96150903  1
  O  O23  1  0.85214116  0.97267270  0.97301228  1
  O  O24  1  0.18125478  0.71269800  0.96551221  1
  O  O25  1  0.64386034  0.95016485  0.70145542  1
  O  O26  1  0.21236171  0.95428238  0.59897442  1
  O  O27  1  0.68948061  0.59711512  0.95295113  1
  O  O28  1  0.04184008  0.67939563  0.26581045  1
  O  O29  1  0.56414973  0.25581125  0.68484591  1
  O  O30  1  0.74256887  0.30487675  0.10587607  1
  O  O31  1  0.25462464  0.12665197  0.31491411  1
  O  O32  1  0.38209117  0.40058560  0.01626132  1
  O  O33  1  0.88123049  0.03604962  0.42333775  1
