# generated using pymatgen
data_VNiH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80011532
_cell_length_b   7.87170607
_cell_length_c   7.84522590
_cell_angle_alpha   121.26090103
_cell_angle_beta   100.28968690
_cell_angle_gamma   100.43402335
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNiH12(C2O3)4
_chemical_formula_sum   'V1 Ni1 H12 C8 O12'
_cell_volume   333.96064725
_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
  Ni  Ni0  1  0.47845045  0.14029700  0.85268553  1
  V  V1  1  0.97634535  0.84894401  0.13735317  1
  H  H2  1  0.49356592  0.51173610  0.03319860  1
  H  H3  1  0.00109549  0.03968370  0.52130917  1
  H  H4  1  0.24990915  0.43175923  0.97362017  1
  H  H5  1  0.75563166  0.98336399  0.43919752  1
  H  H6  1  0.85208862  0.43319713  0.14505419  1
  H  H7  1  0.35633101  0.14725350  0.43516099  1
  H  H8  1  0.81572297  0.20339273  0.09254008  1
  H  H9  1  0.32103546  0.09584884  0.20121485  1
  H  H10  1  0.28462060  0.47724101  0.65789140  1
  H  H11  1  0.78819579  0.65755160  0.47700408  1
  H  H12  1  0.22786248  0.47274948  0.33949147  1
  H  H13  1  0.73460326  0.34168634  0.47013676  1
  C  C14  1  0.26498111  0.77807633  0.87290964  1
  C  C15  1  0.75887463  0.86928954  0.77345124  1
  C  C16  1  0.26914351  0.61509775  0.66342570  1
  C  C17  1  0.77039092  0.66222614  0.61438716  1
  C  C18  1  0.22788656  0.60743658  0.48607567  1
  C  C19  1  0.73226001  0.48553290  0.60662211  1
  C  C20  1  0.16365625  0.76195039  0.45582353  1
  C  C21  1  0.66323965  0.44843656  0.75612719  1
  O  O22  1  0.35946508  0.97504342  0.96933729  1
  O  O23  1  0.85775999  0.96500642  0.97400613  1
  O  O24  1  0.16196566  0.70675083  0.95887920  1
  O  O25  1  0.65749856  0.95508398  0.70683074  1
  O  O26  1  0.20420682  0.95543164  0.60123431  1
  O  O27  1  0.70261406  0.59854681  0.95254751  1
  O  O28  1  0.05276689  0.68484388  0.26307947  1
  O  O29  1  0.55731986  0.25961211  0.68250268  1
  O  O30  1  0.74511393  0.31048845  0.11697444  1
  O  O31  1  0.25006864  0.11798095  0.30993059  1
  O  O32  1  0.37718007  0.40721750  0.02273311  1
  O  O33  1  0.88511992  0.02833935  0.41435490  1
