# generated using pymatgen
data_MnCrH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48515932
_cell_length_b   13.98038339
_cell_length_c   14.88303276
_cell_angle_alpha   87.37732527
_cell_angle_beta   83.15476104
_cell_angle_gamma   89.60588874
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrH36Pd2C60(N2O)8
_chemical_formula_sum   'Mn1 Cr1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.71765995
_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  0.49999837  0.49999881  0.49999886  1
  Mn  Mn1  1  0.49999779  0.00000256  0.49999760  1
  H  H2  1  0.53271271  0.47640904  0.29711694  1
  H  H3  1  0.46728656  0.52358993  0.70288128  1
  H  H4  1  0.53792895  0.57442339  0.15389828  1
  H  H5  1  0.46206152  0.42557517  0.84609976  1
  H  H6  1  0.50260974  0.82583670  0.31353371  1
  H  H7  1  0.49739952  0.17416316  0.68646262  1
  H  H8  1  0.50322393  0.71957173  0.44959083  1
  H  H9  1  0.49678616  0.28042806  0.55040662  1
  H  H10  1  0.77600970  0.00378667  0.64060796  1
  H  H11  1  0.22398904  0.99621481  0.35939548  1
  H  H12  1  0.78256040  0.96072525  0.80244356  1
  H  H13  1  0.21743484  0.03927227  0.19755796  1
  H  H14  1  0.20046361  0.95368509  0.83251220  1
  H  H15  1  0.79953034  0.04632009  0.16748686  1
  H  H16  1  0.21477419  0.99672810  0.66931066  1
  H  H17  1  0.78522523  0.00327920  0.33068926  1
  H  H18  1  0.01578101  0.71802998  0.06866017  1
  H  H19  1  0.98422076  0.28196621  0.93133944  1
  H  H20  1  0.02603110  0.54055064  0.08367617  1
  H  H21  1  0.97397504  0.45944649  0.91632355  1
  H  H22  1  0.03743336  0.45856794  0.23536704  1
  H  H23  1  0.96256952  0.54142907  0.76463303  1
  H  H24  1  0.03587298  0.55485202  0.37141423  1
  H  H25  1  0.96412950  0.44514473  0.62858598  1
  H  H26  1  0.02724668  0.73294358  0.35591390  1
  H  H27  1  0.97275124  0.26705286  0.64408689  1
  H  H28  1  0.23814753  0.26370160  0.24220268  1
  H  H29  1  0.76186467  0.73630239  0.75780726  1
  H  H30  1  0.48924352  0.23506997  0.33603759  1
  H  H31  1  0.51077617  0.76493516  0.66396799  1
  H  H32  1  0.79876582  0.28858946  0.27755307  1
  H  H33  1  0.20125166  0.71141213  0.72244561  1
  H  H34  1  0.85525148  0.37519047  0.12672471  1
  H  H35  1  0.14475887  0.62480406  0.87326961  1
  H  H36  1  0.60205161  0.41008632  0.03609963  1
  H  H37  1  0.39795071  0.58990837  0.96389943  1
  Pd  Pd38  1  0.00933574  0.26011117  0.45887651  1
  Pd  Pd39  1  0.99066339  0.73989005  0.54111505  1
  C  C40  1  0.52652390  0.55403024  0.29824620  1
  C  C41  1  0.47347356  0.44596866  0.70175216  1
  C  C42  1  0.52811464  0.60836380  0.21829720  1
  C  C43  1  0.47187948  0.39163491  0.78170090  1
  C  C44  1  0.51759658  0.70912725  0.22115657  1
  C  C45  1  0.48240197  0.29087138  0.77884150  1
  C  C46  1  0.50897543  0.74892119  0.30727215  1
  C  C47  1  0.49102891  0.25107782  0.69272608  1
  C  C48  1  0.50950418  0.68909346  0.38339222  1
  C  C49  1  0.49050112  0.31090558  0.61660581  1
  C  C50  1  0.51239794  0.76670395  0.14231307  1
  C  C51  1  0.48759432  0.23329402  0.85768588  1
  C  C52  1  0.50571893  0.81611886  0.07144155  1
  C  C53  1  0.49426653  0.18387989  0.92855777  1
  C  C54  1  0.17847739  0.63939975  0.55558444  1
  C  C55  1  0.82151718  0.36059943  0.44440979  1
  C  C56  1  0.19177792  0.16073417  0.48644655  1
  C  C57  1  0.80822219  0.83926820  0.51354668  1
  C  C58  1  0.81658509  0.15996768  0.47486854  1
  C  C59  1  0.18341222  0.84003468  0.52512439  1
  C  C60  1  0.20275651  0.35986089  0.44919384  1
  C  C61  1  0.79724193  0.64013996  0.55080151  1
  C  C62  1  0.65082349  0.99038145  0.68431782  1
  C  C63  1  0.34917384  0.00961997  0.31568448  1
  C  C64  1  0.65521690  0.96577475  0.77478005  1
  C  C65  1  0.34477797  0.03422661  0.22522248  1
  C  C66  1  0.49151554  0.94674870  0.83067355  1
  C  C67  1  0.50847788  0.05325662  0.16932845  1
  C  C68  1  0.32966542  0.96195754  0.79154329  1
  C  C69  1  0.67032966  0.03804870  0.20845758  1
  C  C70  1  0.33831869  0.98642154  0.70027055  1
  C  C71  1  0.66167991  0.01358378  0.29972987  1
  C  C72  1  0.49073019  0.90969598  0.91958827  1
  C  C73  1  0.50926427  0.09031038  0.08041384  1
  C  C74  1  0.49764128  0.86631451  0.99351538  1
  C  C75  1  0.50234422  0.13368578  0.00648508  1
  C  C76  1  0.02228762  0.73554180  0.21160079  1
  C  C77  1  0.97771079  0.26445506  0.78839966  1
  C  C78  1  0.02189066  0.68169338  0.13428049  1
  C  C79  1  0.97811235  0.31830354  0.86571958  1
  C  C80  1  0.02707064  0.58254167  0.14334441  1
  C  C81  1  0.97293275  0.41745527  0.85665559  1
  C  C82  1  0.03318880  0.53647562  0.22849550  1
  C  C83  1  0.96681268  0.46352131  0.77150458  1
  C  C84  1  0.03268439  0.59065979  0.30513726  1
  C  C85  1  0.96731693  0.40933702  0.69486290  1
  C  C86  1  0.02735725  0.68977190  0.29712242  1
  C  C87  1  0.97264294  0.31022511  0.70287778  1
  C  C88  1  0.40607106  0.33828617  0.13366044  1
  C  C89  1  0.59393632  0.66171539  0.86634566  1
  C  C90  1  0.37334455  0.28856101  0.21831340  1
  C  C91  1  0.62666668  0.71144326  0.78169418  1
  C  C92  1  0.51421506  0.27218550  0.26978380  1
  C  C93  1  0.48579987  0.72781889  0.73022133  1
  C  C94  1  0.68818087  0.30280387  0.23711902  1
  C  C95  1  0.31183340  0.69719817  0.76288208  1
  C  C96  1  0.71961068  0.35237179  0.15284907  1
  C  C97  1  0.28039964  0.64762656  0.84714993  1
  C  C98  1  0.57973100  0.37146358  0.10142510  1
  C  C99  1  0.42027537  0.62853511  0.89857629  1
  N  N100  1  0.51602058  0.59200285  0.38083896  1
  N  N101  1  0.48397990  0.40799640  0.61915901  1
  N  N102  1  0.29337130  0.58177683  0.55592199  1
  N  N103  1  0.70662280  0.41822263  0.44407555  1
  N  N104  1  0.30224054  0.10468383  0.50246327  1
  N  N105  1  0.69776014  0.89531986  0.49753195  1
  N  N106  1  0.70019097  0.10338139  0.48538679  1
  N  N107  1  0.29980351  0.89662256  0.51460845  1
  N  N108  1  0.49581635  0.99744198  0.64575533  1
  N  N109  1  0.50418338  0.00256156  0.35424540  1
  N  N110  1  0.31732908  0.41634304  0.45130513  1
  N  N111  1  0.68267029  0.58365656  0.54869255  1
  N  N112  1  0.01683749  0.83852495  0.20374929  1
  N  N113  1  0.98315353  0.16147195  0.79625108  1
  N  N114  1  0.26343752  0.35372251  0.07931347  1
  N  N115  1  0.73656348  0.64627661  0.92069589  1
  O  O116  1  0.01640246  0.88296746  0.27487605  1
  O  O117  1  0.98357305  0.11702968  0.72512506  1
  O  O118  1  0.01289899  0.87769157  0.12749379  1
  O  O119  1  0.98709872  0.12230510  0.87250590  1
  O  O120  1  0.12273618  0.30528440  0.09864633  1
  O  O121  1  0.87726808  0.69471271  0.90136568  1
  O  O122  1  0.28595178  0.41452200  0.01443258  1
  O  O123  1  0.71404147  0.58547680  0.98557630  1
