# generated using pymatgen
data_CoNiH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79928559
_cell_length_b   7.86942075
_cell_length_c   7.84330362
_cell_angle_alpha   121.25474140
_cell_angle_beta   100.29012113
_cell_angle_gamma   100.45033442
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiH12(C2O3)4
_chemical_formula_sum   'Co1 Ni1 H12 C8 O12'
_cell_volume   333.72634993
_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  0.47956285  0.14065948  0.85246437  1
  Co  Co1  1  0.97894166  0.85252993  0.14066101  1
  H  H2  1  0.49434373  0.51153826  0.03202407  1
  H  H3  1  -0.00001181  0.03837313  0.51623655  1
  H  H4  1  0.25066965  0.43464167  0.97473485  1
  H  H5  1  0.75589198  0.98261348  0.44004184  1
  H  H6  1  0.85323813  0.43462959  0.14566695  1
  H  H7  1  0.35567298  0.14595762  0.43413706  1
  H  H8  1  0.81595254  0.20202322  0.09148102  1
  H  H9  1  0.31693338  0.09432021  0.20195046  1
  H  H10  1  0.28453772  0.47561883  0.65517013  1
  H  H11  1  0.78867811  0.65775694  0.47827396  1
  H  H12  1  0.22754418  0.47099464  0.33985630  1
  H  H13  1  0.73397723  0.34186183  0.47115195  1
  C  C14  1  0.26381147  0.77685848  0.87302549  1
  C  C15  1  0.75976923  0.87104756  0.77666168  1
  C  C16  1  0.26885025  0.61401931  0.66194211  1
  C  C17  1  0.77118159  0.66270642  0.61585280  1
  C  C18  1  0.22867636  0.60718136  0.48630765  1
  C  C19  1  0.73265932  0.48658184  0.60772697  1
  C  C20  1  0.16225188  0.76094188  0.45319599  1
  C  C21  1  0.66536792  0.45027104  0.75979542  1
  O  O22  1  0.35946061  0.97364252  0.96740942  1
  O  O23  1  0.85849799  0.96726691  0.97371292  1
  O  O24  1  0.16309036  0.70414618  0.95656719  1
  O  O25  1  0.65372097  0.95111495  0.70421506  1
  O  O26  1  0.20580703  0.95455825  0.60068840  1
  O  O27  1  0.70411254  0.59913078  0.95263114  1
  O  O28  1  0.04981093  0.68189478  0.26321728  1
  O  O29  1  0.55907676  0.25979112  0.68295336  1
  O  O30  1  0.74612605  0.31060212  0.11653666  1
  O  O31  1  0.24869069  0.12104566  0.31262974  1
  O  O32  1  0.37711726  0.40815730  0.02281781  1
  O  O33  1  0.88295879  0.03261888  0.41535296  1
