# generated using pymatgen
data_MnNiH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81633701
_cell_length_b   7.90195834
_cell_length_c   7.86687183
_cell_angle_alpha   121.30852138
_cell_angle_beta   100.26952559
_cell_angle_gamma   100.39457106
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiH12(C2O3)4
_chemical_formula_sum   'Mn1 Ni1 H12 C8 O12'
_cell_volume   336.91118761
_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
  Mn  Mn0  1  0.47811388  0.14582770  0.86006677  1
  Ni  Ni1  1  0.97755731  0.84930118  0.13945999  1
  H  H2  1  0.49009655  0.52903172  0.03901566  1
  H  H3  1  -0.00394962  0.03275593  0.50967505  1
  H  H4  1  0.24724129  0.45809614  0.98741148  1
  H  H5  1  0.75403557  0.97982624  0.43129461  1
  H  H6  1  0.87070952  0.43743620  0.15759403  1
  H  H7  1  0.34818934  0.14309221  0.43117250  1
  H  H8  1  0.83231609  0.20360032  0.10011219  1
  H  H9  1  0.30998982  0.08425172  0.19747122  1
  H  H10  1  0.28085379  0.47272683  0.65226424  1
  H  H11  1  0.78762870  0.65532535  0.47450829  1
  H  H12  1  0.23532557  0.47562153  0.34279642  1
  H  H13  1  0.74582731  0.34493109  0.47376535  1
  C  C14  1  0.25327032  0.76673419  0.87069515  1
  C  C15  1  0.77200100  0.87236439  0.77626615  1
  C  C16  1  0.25901836  0.60881442  0.65882055  1
  C  C17  1  0.77392080  0.66104190  0.61275908  1
  C  C18  1  0.22284658  0.60532058  0.48527132  1
  C  C19  1  0.73817554  0.48736341  0.60701245  1
  C  C20  1  0.15362675  0.75638720  0.45017939  1
  C  C21  1  0.66482288  0.45345013  0.75767963  1
  O  O22  1  0.35153150  0.96208914  0.96632105  1
  O  O23  1  0.86336894  0.96327562  0.97334905  1
  O  O24  1  0.15271840  0.69375892  0.95329026  1
  O  O25  1  0.67878000  0.95941241  0.70487746  1
  O  O26  1  0.18821369  0.94632749  0.59926380  1
  O  O27  1  0.70445457  0.59972965  0.95088732  1
  O  O28  1  0.05376962  0.68036318  0.25819055  1
  O  O29  1  0.55144487  0.26491821  0.67682076  1
  O  O30  1  0.76581720  0.31530402  0.13315053  1
  O  O31  1  0.24075506  0.11299012  0.30746861  1
  O  O32  1  0.37265214  0.42814178  0.03128820  1
  O  O33  1  0.88184694  0.02748524  0.40689147  1
