# generated using pymatgen
data_CrNiH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79630141
_cell_length_b   7.86730154
_cell_length_c   7.83820052
_cell_angle_alpha   121.24906472
_cell_angle_beta   100.30141662
_cell_angle_gamma   100.42326530
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiH12(C2O3)4
_chemical_formula_sum   'Cr1 Ni1 H12 C8 O12'
_cell_volume   333.33685130
_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  0.47964945  0.14093352  0.85327974  1
  Cr  Cr1  1  0.98196604  0.84784359  0.13893406  1
  H  H2  1  0.49422437  0.51318594  0.03541320  1
  H  H3  1  0.00154629  0.03548934  0.51471907  1
  H  H4  1  0.24949402  0.43061787  0.97346172  1
  H  H5  1  0.75581005  0.97977638  0.43214283  1
  H  H6  1  0.84994384  0.43221060  0.14216071  1
  H  H7  1  0.35165732  0.14248465  0.43374758  1
  H  H8  1  0.81708697  0.20409510  0.09481205  1
  H  H9  1  0.31736465  0.09090783  0.19900009  1
  H  H10  1  0.28298852  0.47980607  0.65917307  1
  H  H11  1  0.78767904  0.65780150  0.47697184  1
  H  H12  1  0.22900918  0.47468766  0.34173883  1
  H  H13  1  0.73537711  0.34119280  0.46903271  1
  C  C14  1  0.25951100  0.77997510  0.87225392  1
  C  C15  1  0.76241847  0.86919277  0.77730737  1
  C  C16  1  0.26561779  0.61722511  0.66424454  1
  C  C17  1  0.76991306  0.66191109  0.61425668  1
  C  C18  1  0.22665834  0.61011034  0.48657753  1
  C  C19  1  0.73318213  0.48470335  0.60605681  1
  C  C20  1  0.16438917  0.76431419  0.45558475  1
  C  C21  1  0.66719513  0.45070646  0.75847661  1
  O  O22  1  0.35695731  0.97635542  0.97170211  1
  O  O23  1  0.86083855  0.96387214  0.97840270  1
  O  O24  1  0.15111928  0.70707630  0.95520185  1
  O  O25  1  0.66314621  0.95754597  0.71198099  1
  O  O26  1  0.20285992  0.95769649  0.60072657  1
  O  O27  1  0.71279880  0.60058900  0.95701370  1
  O  O28  1  0.05700200  0.68729146  0.26085112  1
  O  O29  1  0.55562538  0.26321859  0.68447268  1
  O  O30  1  0.74562347  0.31067752  0.11864924  1
  O  O31  1  0.24483825  0.11077435  0.30704137  1
  O  O32  1  0.37781995  0.40870577  0.02491252  1
  O  O33  1  0.88565926  0.02412188  0.40679003  1
