# generated using pymatgen
data_CrCoH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79895648
_cell_length_b   7.87250963
_cell_length_c   7.84091948
_cell_angle_alpha   121.25876929
_cell_angle_beta   100.30205854
_cell_angle_gamma   100.42044055
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoH12(C2O3)4
_chemical_formula_sum   'Cr1 Co1 H12 C8 O12'
_cell_volume   333.76687996
_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
  Co  Co0  1  0.47718248  0.14026797  0.85292159  1
  Cr  Cr1  1  0.98135969  0.84697803  0.13892239  1
  H  H2  1  0.49341056  0.51679923  0.03723563  1
  H  H3  1  0.00174313  0.03525933  0.51508463  1
  H  H4  1  0.24828188  0.43504377  0.97499758  1
  H  H5  1  0.75627453  0.97997963  0.43139499  1
  H  H6  1  0.85252975  0.43238399  0.14422036  1
  H  H7  1  0.35104976  0.14287439  0.43374027  1
  H  H8  1  0.81965425  0.20493509  0.09608637  1
  H  H9  1  0.31621578  0.08904747  0.19716938  1
  H  H10  1  0.28302728  0.48105423  0.66112408  1
  H  H11  1  0.78842194  0.65895838  0.47631603  1
  H  H12  1  0.22912880  0.47692645  0.34117601  1
  H  H13  1  0.73538428  0.33916157  0.46911786  1
  C  C14  1  0.25655030  0.77794711  0.87213828  1
  C  C15  1  0.76559641  0.86887339  0.77728499  1
  C  C16  1  0.26367411  0.61692784  0.66425233  1
  C  C17  1  0.77191294  0.66124523  0.61304841  1
  C  C18  1  0.22468768  0.60986550  0.48666585  1
  C  C19  1  0.73407356  0.48438342  0.60487146  1
  C  C20  1  0.16275864  0.76382420  0.45526897  1
  C  C21  1  0.66756683  0.45113961  0.75739183  1
  O  O22  1  0.35536351  0.97417544  0.97195477  1
  O  O23  1  0.86172896  0.96153875  0.97822119  1
  O  O24  1  0.14809772  0.70542559  0.95456604  1
  O  O25  1  0.66999388  0.95976153  0.71318681  1
  O  O26  1  0.19981044  0.95671702  0.60115923  1
  O  O27  1  0.71431049  0.60035143  0.95612407  1
  O  O28  1  0.05890255  0.68780557  0.26018117  1
  O  O29  1  0.55374938  0.26437348  0.68296858  1
  O  O30  1  0.74803460  0.31140253  0.12115029  1
  O  O31  1  0.24395649  0.10737536  0.30522522  1
  O  O32  1  0.37643739  0.41356339  0.02743312  1
  O  O33  1  0.88610032  0.02073024  0.40449081  1
