# generated using pymatgen
data_CrH14C20N2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01762699
_cell_length_b   10.18165223
_cell_length_c   11.32018701
_cell_angle_alpha   112.02292400
_cell_angle_beta   95.17649548
_cell_angle_gamma   114.90472986
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH14C20N2O5
_chemical_formula_sum   'Cr2 H28 C40 N4 O10'
_cell_volume   834.99990944
_cell_formula_units_Z   2
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  0.47365103  0.86159405  0.70512749  1
  Cr  Cr1  1  0.52640092  0.13845536  0.29488778  1
  H  H2  1  0.38269861  0.80613982  0.40461899  1
  H  H3  1  0.61727554  0.19385533  0.59538950  1
  H  H4  1  0.46186160  0.67909704  0.20728454  1
  H  H5  1  0.53810841  0.32091636  0.79271441  1
  H  H6  1  0.65170410  0.55867267  0.22390463  1
  H  H7  1  0.34825113  0.44131860  0.77606792  1
  H  H8  1  0.83003694  0.50953016  0.37516037  1
  H  H9  1  0.16992326  0.49044648  0.62480145  1
  H  H10  1  0.93958453  0.54586210  0.60072118  1
  H  H11  1  0.06034922  0.45406211  0.39922203  1
  H  H12  1  0.95434580  0.65471212  0.84596927  1
  H  H13  1  0.04556826  0.34517172  0.15397936  1
  H  H14  1  0.85568746  0.80086130  0.02864529  1
  H  H15  1  0.14421949  0.19899980  0.97130920  1
  H  H16  1  0.65044120  0.88367833  0.97368800  1
  H  H17  1  0.34954699  0.11627775  0.02629753  1
  H  H18  1  0.96084709  0.28722475  0.77892128  1
  H  H19  1  0.03920885  0.71283082  0.22109521  1
  H  H20  1  0.77795727  0.44055418  0.11622255  1
  H  H21  1  0.22210942  0.55949798  0.88380373  1
  H  H22  1  0.20393975  0.91186624  0.41518405  1
  H  H23  1  0.79607275  0.08817099  0.58486543  1
  H  H24  1  0.97620958  0.04231823  0.72733661  1
  H  H25  1  0.02379121  0.95770405  0.27271041  1
  H  H26  1  0.25062442  0.85260902  0.80660304  1
  H  H27  1  0.74938391  0.14737613  0.19338567  1
  H  H28  1  0.35323258  0.81123147  0.90139880  1
  H  H29  1  0.64682005  0.18880029  0.09860327  1
  C  C30  1  0.46606702  0.75563281  0.41161558  1
  C  C31  1  0.53392049  0.24437404  0.58838688  1
  C  C32  1  0.51107001  0.68293904  0.30059368  1
  C  C33  1  0.48890443  0.31706649  0.69940062  1
  C  C34  1  0.61700574  0.61833192  0.30989292  1
  C  C35  1  0.38296119  0.38166264  0.69008709  1
  C  C36  1  0.68218456  0.63113233  0.43394762  1
  C  C37  1  0.31778782  0.36885364  0.56602800  1
  C  C38  1  0.79360560  0.57197002  0.45883581  1
  C  C39  1  0.20635738  0.42800334  0.54112940  1
  C  C40  1  0.85325121  0.59065400  0.58398737  1
  C  C41  1  0.14670538  0.40929868  0.41597135  1
  C  C42  1  0.80657561  0.66929965  0.69514754  1
  C  C43  1  0.19339146  0.33065336  0.30481932  1
  C  C44  1  0.86517194  0.69530095  0.82577884  1
  C  C45  1  0.13476946  0.30461429  0.17417942  1
  C  C46  1  0.81041949  0.77430253  0.92573735  1
  C  C47  1  0.18952072  0.22560330  0.07422621  1
  C  C48  1  0.69548565  0.82340026  0.89609440  1
  C  C49  1  0.30449197  0.17655026  0.10388451  1
  C  C50  1  0.69359782  0.72623714  0.67189219  1
  C  C51  1  0.30639248  0.27374421  0.32808858  1
  C  C52  1  0.63350335  0.70880219  0.54359582  1
  C  C53  1  0.36648942  0.29119278  0.45638990  1
  C  C54  1  0.69500141  0.18332519  0.88097044  1
  C  C55  1  0.30505907  0.81672585  0.11904682  1
  C  C56  1  0.85147978  0.34581369  0.94054843  1
  C  C57  1  0.14857783  0.65423870  0.05947203  1
  C  C58  1  0.97728947  0.38071709  0.87532493  1
  C  C59  1  0.02276625  0.61933711  0.12469246  1
  C  C60  1  0.87587278  0.46673981  0.06545431  1
  C  C61  1  0.12418777  0.53331374  0.93456521  1
  C  C62  1  0.20395472  0.94167033  0.66369214  1
  C  C63  1  0.79606347  0.05836241  0.33635113  1
  C  C64  1  0.10037024  0.97279508  0.57987367  1
  C  C65  1  0.89964805  0.02724556  0.42017939  1
  C  C66  1  0.11152786  0.94691809  0.45107393  1
  C  C67  1  0.88848947  0.05312416  0.54897883  1
  C  C68  1  0.98800443  0.02625930  0.62824525  1
  C  C69  1  0.01200870  0.97377640  0.37180704  1
  N  N70  1  0.52622108  0.76962690  0.53232974  1
  N  N71  1  0.47378929  0.23038933  0.46767136  1
  N  N72  1  0.63511341  0.79780739  0.77082678  1
  N  N73  1  0.36489361  0.20218594  0.22916143  1
  O  O74  1  0.66971882  0.08345940  0.75914369  1
  O  O75  1  0.33034765  0.91658021  0.24088203  1
  O  O76  1  0.59140599  0.14746293  0.94655247  1
  O  O77  1  0.40863714  0.85259716  0.05346439  1
  O  O78  1  0.30579438  0.89371004  0.61076529  1
  O  O79  1  0.69428646  0.10640383  0.38929734  1
  O  O80  1  0.18864773  0.95975168  0.77743600  1
  O  O81  1  0.81131651  0.04020030  0.22258019  1
  O  O82  1  0.30801340  0.78369777  0.80509782  1
  O  O83  1  0.69202697  0.21631091  0.19489898  1
