# generated using pymatgen
data_CrCoH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80029141
_cell_length_b   7.86517935
_cell_length_c   7.85091404
_cell_angle_alpha   121.24867982
_cell_angle_beta   100.23995767
_cell_angle_gamma   100.47012751
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoH12(C2O3)4
_chemical_formula_sum   'Cr1 Co1 H12 C8 O12'
_cell_volume   334.02058183
_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
  Cr  Cr0  1  0.48202398  0.13731799  0.84533636  1
  Co  Co1  1  0.97985678  0.85412390  0.14243201  1
  H  H2  1  0.49901378  0.50996465  0.02711907  1
  H  H3  1  -0.00310153  0.04496507  0.52247768  1
  H  H4  1  0.25270596  0.42083386  0.96971570  1
  H  H5  1  0.75220935  0.98170665  0.43758700  1
  H  H6  1  0.84751048  0.43338640  0.14110330  1
  H  H7  1  0.35211767  0.14144700  0.42957601  1
  H  H8  1  0.81691223  0.19667715  0.08546117  1
  H  H9  1  0.31949641  0.09898166  0.20398506  1
  H  H10  1  0.28325706  0.47479041  0.65673250  1
  H  H11  1  0.78264039  0.66299471  0.48402875  1
  H  H12  1  0.23142062  0.46836456  0.33745377  1
  H  H13  1  0.73833606  0.34510587  0.48059434  1
  C  C14  1  0.27018956  0.77876727  0.87123253  1
  C  C15  1  0.75221307  0.86939964  0.77998809  1
  C  C16  1  0.26891266  0.61218942  0.66019516  1
  C  C17  1  0.76208526  0.66422255  0.61898106  1
  C  C18  1  0.22969969  0.60392769  0.48269414  1
  C  C19  1  0.72860138  0.48747695  0.61255899  1
  C  C20  1  0.16335736  0.75654477  0.45026249  1
  C  C21  1  0.66603092  0.45606751  0.76658305  1
  O  O22  1  0.36209568  0.97926969  0.96074959  1
  O  O23  1  0.85328885  0.97162933  0.97632852  1
  O  O24  1  0.18124599  0.71627634  0.96722394  1
  O  O25  1  0.64335956  0.94931947  0.70506309  1
  O  O26  1  0.21510574  0.95600288  0.59815785  1
  O  O27  1  0.69569469  0.60210298  0.95813737  1
  O  O28  1  0.04387751  0.68124749  0.26483657  1
  O  O29  1  0.56936158  0.25960593  0.68997721  1
  O  O30  1  0.74296600  0.30346195  0.10559999  1
  O  O31  1  0.24853651  0.12344317  0.31142960  1
  O  O32  1  0.38439178  0.39941851  0.01478418  1
  O  O33  1  0.88155729  0.03606282  0.41870450  1
