# generated using pymatgen
data_CrH18PdC30(N2O)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48475974
_cell_length_b   13.97977525
_cell_length_c   14.88285048
_cell_angle_alpha   87.37609109
_cell_angle_beta   83.15535221
_cell_angle_gamma   89.60602616
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH18PdC30(N2O)4
_chemical_formula_sum   'Cr2 H36 Pd2 C60 N16 O8'
_cell_volume   1544.54948807
_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  0.49999852  0.49999982  0.49999873  1
  Cr  Cr1  1  0.49999789  0.00000253  0.49999756  1
  H  H2  1  0.53267155  0.47631903  0.29709987  1
  H  H3  1  0.46732773  0.52368004  0.70289808  1
  H  H4  1  0.53796778  0.57431889  0.15388919  1
  H  H5  1  0.46202272  0.42567964  0.84610907  1
  H  H6  1  0.50262130  0.82581492  0.31355211  1
  H  H7  1  0.49738791  0.17418446  0.68644433  1
  H  H8  1  0.50325941  0.71951794  0.44967989  1
  H  H9  1  0.49675055  0.28048181  0.55031774  1
  H  H10  1  0.77632543  0.00395423  0.64045613  1
  H  H11  1  0.22367439  0.99604701  0.35954723  1
  H  H12  1  0.78220239  0.96082094  0.80224610  1
  H  H13  1  0.21779238  0.03917653  0.19775566  1
  H  H14  1  0.20074735  0.95376867  0.83233560  1
  H  H15  1  0.79924605  0.04623646  0.16766367  1
  H  H16  1  0.21427596  0.99684310  0.66929464  1
  H  H17  1  0.78572307  0.00316415  0.33070509  1
  H  H18  1  0.01573538  0.71805867  0.06847719  1
  H  H19  1  0.98426638  0.28193760  0.93152246  1
  H  H20  1  0.02607337  0.54054918  0.08355449  1
  H  H21  1  0.97393206  0.45944823  0.91644535  1
  H  H22  1  0.03756348  0.45860559  0.23533679  1
  H  H23  1  0.96243937  0.54139138  0.76466318  1
  H  H24  1  0.03589317  0.55485141  0.37145634  1
  H  H25  1  0.96410927  0.44514535  0.62854374  1
  H  H26  1  0.02730761  0.73297775  0.35602893  1
  H  H27  1  0.97269033  0.26701878  0.64397164  1
  H  H28  1  0.23800255  0.26364864  0.24218807  1
  H  H29  1  0.76200963  0.73635536  0.75782189  1
  H  H30  1  0.48908704  0.23504563  0.33604012  1
  H  H31  1  0.51093247  0.76495956  0.66396552  1
  H  H32  1  0.79872253  0.28857790  0.27747387  1
  H  H33  1  0.20129489  0.71142366  0.72252463  1
  H  H34  1  0.85528898  0.37516521  0.12662065  1
  H  H35  1  0.14472138  0.62482930  0.87337386  1
  H  H36  1  0.60205167  0.41014917  0.03599568  1
  H  H37  1  0.39795099  0.58984544  0.96400368  1
  Pd  Pd38  1  0.00901623  0.25871211  0.45953177  1
  Pd  Pd39  1  0.99098268  0.74128868  0.54046052  1
  C  C40  1  0.52650810  0.55399074  0.29819388  1
  C  C41  1  0.47348947  0.44600812  0.70180437  1
  C  C42  1  0.52812830  0.60839529  0.21822499  1
  C  C43  1  0.47186593  0.39160339  0.78177337  1
  C  C44  1  0.51754386  0.70912837  0.22114586  1
  C  C45  1  0.48245443  0.29087030  0.77885203  1
  C  C46  1  0.50898013  0.74889102  0.30720875  1
  C  C47  1  0.49102429  0.25110789  0.69278899  1
  C  C48  1  0.50949908  0.68908018  0.38340217  1
  C  C49  1  0.49050625  0.31091909  0.61659576  1
  C  C50  1  0.51243099  0.76675596  0.14226490  1
  C  C51  1  0.48756120  0.23324194  0.85773401  1
  C  C52  1  0.50573108  0.81613770  0.07141331  1
  C  C53  1  0.49425426  0.18386182  0.92858595  1
  C  C54  1  0.17761747  0.64002321  0.55524356  1
  C  C55  1  0.82237786  0.35997586  0.44475092  1
  C  C56  1  0.19394056  0.15978291  0.48687872  1
  C  C57  1  0.80605954  0.84021937  0.51311503  1
  C  C58  1  0.81413585  0.15889389  0.47513042  1
  C  C59  1  0.18586160  0.84110830  0.52486288  1
  C  C60  1  0.20160592  0.35910723  0.44944136  1
  C  C61  1  0.79839231  0.64089347  0.55055388  1
  C  C62  1  0.65090794  0.99039186  0.68398999  1
  C  C63  1  0.34908960  0.00960978  0.31601200  1
  C  C64  1  0.65490434  0.96574966  0.77448616  1
  C  C65  1  0.34509035  0.03425154  0.22551605  1
  C  C66  1  0.49145746  0.94668653  0.83060084  1
  C  C67  1  0.50853589  0.05331886  0.16940140  1
  C  C68  1  0.32987559  0.96193859  0.79124136  1
  C  C69  1  0.67011950  0.03806749  0.20875953  1
  C  C70  1  0.33808302  0.98642683  0.70000940  1
  C  C71  1  0.66191514  0.01357864  0.29999096  1
  C  C72  1  0.49073005  0.90975925  0.91955187  1
  C  C73  1  0.50926496  0.09024686  0.08045044  1
  C  C74  1  0.49765076  0.86634793  0.99351391  1
  C  C75  1  0.50233525  0.13365211  0.00648642  1
  C  C76  1  0.02227106  0.73536177  0.21157573  1
  C  C77  1  0.97772745  0.26463509  0.78842455  1
  C  C78  1  0.02184930  0.68168094  0.13416482  1
  C  C79  1  0.97815362  0.31831589  0.86583520  1
  C  C80  1  0.02708427  0.58249131  0.14328054  1
  C  C81  1  0.97291905  0.41750556  0.85671947  1
  C  C82  1  0.03321398  0.53648768  0.22843773  1
  C  C83  1  0.96678761  0.46350918  0.77156241  1
  C  C84  1  0.03269246  0.59059519  0.30512691  1
  C  C85  1  0.96730892  0.40940164  0.69487320  1
  C  C86  1  0.02738722  0.68975197  0.29719159  1
  C  C87  1  0.97261278  0.31024499  0.70280855  1
  C  C88  1  0.40637441  0.33828502  0.13372683  1
  C  C89  1  0.59363220  0.66171626  0.86627945  1
  C  C90  1  0.37332929  0.28851573  0.21834550  1
  C  C91  1  0.62668211  0.71148832  0.78166240  1
  C  C92  1  0.51426421  0.27218170  0.26978754  1
  C  C93  1  0.48575120  0.72782280  0.73021754  1
  C  C94  1  0.68816831  0.30279659  0.23706197  1
  C  C95  1  0.31184633  0.69720570  0.76293881  1
  C  C96  1  0.71972717  0.35234370  0.15282922  1
  C  C97  1  0.28028309  0.64765481  0.84716958  1
  C  C98  1  0.57990073  0.37148805  0.10135505  1
  C  C99  1  0.42010505  0.62851056  0.89864644  1
  N  N100  1  0.51601765  0.59201829  0.38073376  1
  N  N101  1  0.48398237  0.40798072  0.61926443  1
  N  N102  1  0.29230730  0.58227965  0.55580099  1
  N  N103  1  0.70768795  0.41771934  0.44419611  1
  N  N104  1  0.30512611  0.10328138  0.50126971  1
  N  N105  1  0.69487496  0.89672191  0.49872506  1
  N  N106  1  0.69766271  0.10211622  0.48537515  1
  N  N107  1  0.30233110  0.89788829  0.51461989  1
  N  N108  1  0.49573891  0.99759966  0.64481476  1
  N  N109  1  0.50425973  0.00240448  0.35518606  1
  N  N110  1  0.31606907  0.41577389  0.45134362  1
  N  N111  1  0.68392993  0.58422573  0.54865411  1
  N  N112  1  0.01680517  0.83855941  0.20377100  1
  N  N113  1  0.98318542  0.16143756  0.79622952  1
  N  N114  1  0.26346169  0.35375350  0.07927726  1
  N  N115  1  0.73653944  0.64624571  0.92073193  1
  O  O116  1  0.01632800  0.88314565  0.27481900  1
  O  O117  1  0.98364809  0.11685145  0.72518208  1
  O  O118  1  0.01286445  0.87788753  0.12754314  1
  O  O119  1  0.98713324  0.12210921  0.87245673  1
  O  O120  1  0.12250869  0.30543558  0.09854232  1
  O  O121  1  0.87749588  0.69456155  0.90146975  1
  O  O122  1  0.28570733  0.41449309  0.01430721  1
  O  O123  1  0.71428687  0.58550581  0.98570145  1
