# generated using pymatgen
data_VFeH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81030104
_cell_length_b   7.89022246
_cell_length_c   7.86041275
_cell_angle_alpha   121.28950382
_cell_angle_beta   100.27833716
_cell_angle_gamma   100.40829341
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeH12(C2O3)4
_chemical_formula_sum   'V1 Fe1 H12 C8 O12'
_cell_volume   335.86400531
_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  0.47726855  0.14087347  0.85365354  1
  V  V1  1  0.97744843  0.84846979  0.13858551  1
  H  H2  1  0.49194826  0.51925646  0.03525958  1
  H  H3  1  -0.00142314  0.03665734  0.52193404  1
  H  H4  1  0.24886194  0.44294291  0.98068206  1
  H  H5  1  0.75477697  0.98449745  0.43994668  1
  H  H6  1  0.86039832  0.43619008  0.15287063  1
  H  H7  1  0.35749386  0.14962459  0.43536330  1
  H  H8  1  0.82198027  0.20499677  0.09697326  1
  H  H9  1  0.32102323  0.09265614  0.19962478  1
  H  H10  1  0.28414227  0.47621065  0.65638286  1
  H  H11  1  0.78803575  0.65567179  0.47439150  1
  H  H12  1  0.23154143  0.47495279  0.34222447  1
  H  H13  1  0.73786883  0.34215975  0.46968844  1
  C  C14  1  0.26135708  0.77311905  0.87263262  1
  C  C15  1  0.76519225  0.86945980  0.77231944  1
  C  C16  1  0.26599123  0.61328350  0.66250650  1
  C  C17  1  0.77156162  0.66099860  0.61188629  1
  C  C18  1  0.22613768  0.60770855  0.48657586  1
  C  C19  1  0.73350340  0.48509231  0.60491023  1
  C  C20  1  0.15783190  0.75863881  0.45387107  1
  C  C21  1  0.66063360  0.44901381  0.75288340  1
  O  O22  1  0.35565165  0.97004746  0.96921030  1
  O  O23  1  0.85762389  0.96260325  0.97239245  1
  O  O24  1  0.16018733  0.70038778  0.95737874  1
  O  O25  1  0.66971284  0.95719493  0.70399714  1
  O  O26  1  0.19199977  0.95097563  0.59968529  1
  O  O27  1  0.69885012  0.59743711  0.94811909  1
  O  O28  1  0.05427013  0.68038189  0.25945799  1
  O  O29  1  0.55137913  0.26016391  0.67637307  1
  O  O30  1  0.75290475  0.31334784  0.12363573  1
  O  O31  1  0.25053507  0.11724163  0.30891087  1
  O  O32  1  0.37588419  0.41705481  0.02767443  1
  O  O33  1  0.88439772  0.02778553  0.41508940  1
