# generated using pymatgen
data_VFeH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80925816
_cell_length_b   7.88392029
_cell_length_c   7.86160084
_cell_angle_alpha   121.28136761
_cell_angle_beta   100.25524021
_cell_angle_gamma   100.44199038
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeH12(C2O3)4
_chemical_formula_sum   'V1 Fe1 H12 C8 O12'
_cell_volume   335.60393245
_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
  V  V0  1  0.47648688  0.13718917  0.84802417  1
  Fe  Fe1  1  0.97653545  0.85448297  0.14134691  1
  H  H2  1  0.49450729  0.51934501  0.03273584  1
  H  H3  1  -0.00333278  0.04090129  0.52297380  1
  H  H4  1  0.25036292  0.43648977  0.97787044  1
  H  H5  1  0.75325000  0.98623914  0.44540195  1
  H  H6  1  0.85593995  0.43577120  0.15004445  1
  H  H7  1  0.36120009  0.15132732  0.43487832  1
  H  H8  1  0.82218132  0.20057771  0.09258879  1
  H  H9  1  0.32154889  0.09813543  0.20447983  1
  H  H10  1  0.28513737  0.47373975  0.65523485  1
  H  H11  1  0.78739030  0.65910948  0.47841050  1
  H  H12  1  0.23071072  0.46925822  0.33905482  1
  H  H13  1  0.73715664  0.34333440  0.47498698  1
  C  C14  1  0.26656650  0.77198509  0.87119572  1
  C  C15  1  0.76064217  0.87117966  0.77400283  1
  C  C16  1  0.26955121  0.61131781  0.66062146  1
  C  C17  1  0.76920367  0.66304246  0.61523646  1
  C  C18  1  0.22897150  0.60436660  0.48423005  1
  C  C19  1  0.73101278  0.48708139  0.60854183  1
  C  C20  1  0.15718865  0.75313578  0.44980589  1
  C  C21  1  0.66089689  0.45166353  0.75784754  1
  O  O22  1  0.35679155  0.97127216  0.96258639  1
  O  O23  1  0.85613207  0.96978457  0.97157820  1
  O  O24  1  0.17483933  0.70433216  0.96204572  1
  O  O25  1  0.65586832  0.95239148  0.70005378  1
  O  O26  1  0.19924605  0.94870802  0.59807013  1
  O  O27  1  0.69159581  0.59776482  0.94920426  1
  O  O28  1  0.04507033  0.67701215  0.26147461  1
  O  O29  1  0.56075491  0.25733195  0.68032054  1
  O  O30  1  0.74978114  0.30784497  0.11606981  1
  O  O31  1  0.25317118  0.12544816  0.31413517  1
  O  O32  1  0.37953854  0.41107850  0.02100316  1
  O  O33  1  0.88107271  0.03445406  0.42103541  1
