# generated using pymatgen
data_NiH6(C2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79793081
_cell_length_b   7.86806777
_cell_length_c   7.84130157
_cell_angle_alpha   121.25459335
_cell_angle_beta   100.28924458
_cell_angle_gamma   100.45198941
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH6(C2O3)2
_chemical_formula_sum   'Ni2 H12 C8 O12'
_cell_volume   333.51603528
_cell_formula_units_Z   2
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  0.47935976  0.14024123  0.85233756  1
  Ni  Ni1  1  0.97985896  0.85409537  0.14185432  1
  H  H2  1  0.49440422  0.51166685  0.03232013  1
  H  H3  1  0.00032061  0.03783422  0.51472130  1
  H  H4  1  0.25057042  0.43476899  0.97480627  1
  H  H5  1  0.75666529  0.98206129  0.43821127  1
  H  H6  1  0.85308640  0.43468244  0.14531586  1
  H  H7  1  0.35373467  0.14447831  0.43328838  1
  H  H8  1  0.81620342  0.20204789  0.09167489  1
  H  H9  1  0.31553765  0.09329325  0.20138185  1
  H  H10  1  0.28462717  0.47594100  0.65532016  1
  H  H11  1  0.78864345  0.65783894  0.47830229  1
  H  H12  1  0.22768755  0.47111100  0.33992112  1
  H  H13  1  0.73399329  0.34177057  0.47093165  1
  C  C14  1  0.26253341  0.77695369  0.87369385  1
  C  C15  1  0.76070734  0.87135456  0.77789726  1
  C  C16  1  0.26814350  0.61430585  0.66222791  1
  C  C17  1  0.77163586  0.66281678  0.61613924  1
  C  C18  1  0.22828869  0.60726348  0.48627516  1
  C  C19  1  0.73293029  0.48647289  0.60764136  1
  C  C20  1  0.16211508  0.76105658  0.45265880  1
  C  C21  1  0.66623964  0.45085890  0.76058221  1
  O  O22  1  0.35931873  0.97340031  0.96755275  1
  O  O23  1  0.85969600  0.96730955  0.97482244  1
  O  O24  1  0.16080440  0.70538619  0.95749354  1
  O  O25  1  0.65461766  0.95132152  0.70525188  1
  O  O26  1  0.20600470  0.95453421  0.60076773  1
  O  O27  1  0.70587740  0.59949556  0.95339348  1
  O  O28  1  0.05046707  0.68365707  0.26296968  1
  O  O29  1  0.55912069  0.26039841  0.68351565  1
  O  O30  1  0.74644842  0.31082910  0.11695429  1
  O  O31  1  0.24671116  0.11910188  0.31160120  1
  O  O32  1  0.37705272  0.40841386  0.02311816  1
  O  O33  1  0.88356466  0.03033442  0.41214696  1
