# generated using pymatgen
data_VCrH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80709838
_cell_length_b   7.87911970
_cell_length_c   7.86420098
_cell_angle_alpha   121.29532633
_cell_angle_beta   100.19621456
_cell_angle_gamma   100.47318516
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrH12(C2O3)4
_chemical_formula_sum   'V1 Cr1 H12 C8 O12'
_cell_volume   335.41160906
_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  0.48106045  0.13625539  0.84375297  1
  V  V1  1  0.97677058  0.85461266  0.14241089  1
  H  H2  1  0.49551299  0.50732342  0.02353253  1
  H  H3  1  -0.00363451  0.04495860  0.53086986  1
  H  H4  1  0.25113774  0.42004919  0.96981106  1
  H  H5  1  0.75215018  0.98774022  0.44758687  1
  H  H6  1  0.84992842  0.43524573  0.14557969  1
  H  H7  1  0.36667670  0.15344101  0.43712394  1
  H  H8  1  0.81450563  0.19673103  0.08363418  1
  H  H9  1  0.32942935  0.10419219  0.20748915  1
  H  H10  1  0.28629164  0.47413561  0.65702059  1
  H  H11  1  0.78356019  0.65871599  0.48010126  1
  H  H12  1  0.23359406  0.46843921  0.34040277  1
  H  H13  1  0.73794309  0.34622600  0.47782400  1
  C  C14  1  0.27337674  0.77787906  0.87155001  1
  C  C15  1  0.75073796  0.86981058  0.77281726  1
  C  C16  1  0.27398467  0.61262863  0.66297507  1
  C  C17  1  0.76216049  0.66401743  0.61666656  1
  C  C18  1  0.23231974  0.60412862  0.48512776  1
  C  C19  1  0.72543942  0.48666113  0.60986240  1
  C  C20  1  0.16266632  0.75440754  0.45365538  1
  C  C21  1  0.65738979  0.45128384  0.75839011  1
  O  O22  1  0.36594344  0.97820487  0.96121463  1
  O  O23  1  0.84883624  0.97328320  0.97012118  1
  O  O24  1  0.18037752  0.71622763  0.96645404  1
  O  O25  1  0.64311684  0.95000769  0.69753664  1
  O  O26  1  0.21158329  0.95376245  0.60080358  1
  O  O27  1  0.68300168  0.59670933  0.94936264  1
  O  O28  1  0.04144566  0.67824787  0.26808680  1
  O  O29  1  0.56298595  0.25444927  0.68307275  1
  O  O30  1  0.74186644  0.30435819  0.10432993  1
  O  O31  1  0.26021257  0.12763995  0.31569248  1
  O  O32  1  0.38236631  0.39925257  0.01613803  1
  O  O33  1  0.88223270  0.03607006  0.42609359  1
