# generated using pymatgen
data_CrH20C20(N2O)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08973400
_cell_length_b   12.17653422
_cell_length_c   11.40800066
_cell_angle_alpha   79.79501595
_cell_angle_beta   80.94090125
_cell_angle_gamma   70.90622642
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH20C20(N2O)4
_chemical_formula_sum   'Cr2 H40 C40 N16 O8'
_cell_volume   1039.12333962
_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  0.00000038  -0.00000064  -0.00000074  1
  Cr  Cr1  1  0.49999917  0.50000277  0.50000012  1
  H  H2  1  0.22782856  0.43481331  0.83328186  1
  H  H3  1  0.77217189  0.56518535  0.16672032  1
  H  H4  1  0.82584167  0.37093394  0.10598361  1
  H  H5  1  0.17416025  0.62906414  0.89401896  1
  H  H6  1  0.70050531  0.09687930  0.82701779  1
  H  H7  1  0.29949554  0.90312007  0.17298079  1
  H  H8  1  0.65364803  0.10423187  0.19168240  1
  H  H9  1  0.34635248  0.89576944  0.80831542  1
  H  H10  1  0.33343438  0.21370598  0.11680426  1
  H  H11  1  0.66656592  0.78629398  0.88319381  1
  H  H12  1  0.37147118  0.18872054  0.88171570  1
  H  H13  1  0.62852915  0.81127710  0.11828237  1
  H  H14  1  0.08473302  0.15778925  0.75781323  1
  H  H15  1  0.91526478  0.84221208  0.24218984  1
  H  H16  1  0.97325931  0.83919342  0.80991772  1
  H  H17  1  0.02674949  0.16080342  0.19007667  1
  H  H18  1  0.10101362  0.87519948  0.57814897  1
  H  H19  1  0.89899967  0.12480404  0.42184617  1
  H  H20  1  0.14880248  0.08769027  0.54693728  1
  H  H21  1  0.85120211  0.91231454  0.45306488  1
  H  H22  1  0.43115210  0.18857128  0.36422186  1
  H  H23  1  0.56884764  0.81143348  0.63577606  1
  H  H24  1  0.61622632  0.98444714  0.69265727  1
  H  H25  1  0.38377774  0.01555666  0.30733944  1
  H  H26  1  0.36886374  0.69839147  0.28120952  1
  H  H27  1  0.63112772  0.30161371  0.71879183  1
  H  H28  1  0.55713218  0.33522887  0.29330088  1
  H  H29  1  0.44287304  0.66477690  0.70670143  1
  H  H30  1  0.41762367  0.42096636  0.08318789  1
  H  H31  1  0.58238057  0.57903546  0.91681515  1
  H  H32  1  0.30631458  0.65687657  0.07705256  1
  H  H33  1  0.69367785  0.34312490  0.92294863  1
  H  H34  1  0.20231142  0.39465773  0.64977465  1
  H  H35  1  0.79769486  0.60534644  0.35022195  1
  H  H36  1  0.14759443  0.72533185  0.46123480  1
  H  H37  1  0.85239246  0.27467533  0.53876958  1
  H  H38  1  0.82567834  0.72054776  0.56651590  1
  H  H39  1  0.17431519  0.27944403  0.43348739  1
  H  H40  1  0.87874865  0.50823750  0.70135988  1
  H  H41  1  0.12125932  0.49175519  0.29863952  1
  C  C42  1  0.04587748  0.27490941  0.91418274  1
  C  C43  1  0.95412198  0.72509044  0.08581798  1
  C  C44  1  0.02583793  0.38868732  0.96160700  1
  C  C45  1  0.97416185  0.61131156  0.03839474  1
  C  C46  1  0.12494270  0.46286440  0.90567124  1
  C  C47  1  0.87505836  0.53713430  0.09433028  1
  C  C48  1  0.90268752  0.42735486  0.05857611  1
  C  C49  1  0.09731337  0.57264368  0.94142601  1
  C  C50  1  0.61810731  0.11291343  0.10221103  1
  C  C51  1  0.38189338  0.88708601  0.89778787  1
  C  C52  1  0.45304576  0.16867804  0.06369274  1
  C  C53  1  0.54695552  0.83132068  0.93630459  1
  C  C54  1  0.47090285  0.15758272  0.94337075  1
  C  C55  1  0.52909739  0.84241541  0.05662757  1
  C  C56  1  0.00961167  0.91512213  0.76451162  1
  C  C57  1  0.99039630  0.08487916  0.23548331  1
  C  C58  1  0.07419196  0.93406117  0.64553305  1
  C  C59  1  0.92581622  0.06593994  0.35446530  1
  C  C60  1  0.10386990  0.04163032  0.62957124  1
  C  C61  1  0.89613443  0.95837429  0.37042744  1
  C  C62  1  0.55004113  0.20757824  0.57266704  1
  C  C63  1  0.44995769  0.79242596  0.42733286  1
  C  C64  1  0.52287466  0.10168532  0.53450973  1
  C  C65  1  0.47712703  0.89831877  0.46548752  1
  C  C66  1  0.45910820  0.10639267  0.42557230  1
  C  C67  1  0.54089360  0.89361106  0.57442532  1
  C  C68  1  0.56409316  0.99280257  0.60778424  1
  C  C69  1  0.43590919  0.00720137  0.39221331  1
  C  C70  1  0.49175649  0.42603213  0.26089975  1
  C  C71  1  0.50824597  0.57397227  0.73910322  1
  C  C72  1  0.42656060  0.47068762  0.15140420  1
  C  C73  1  0.57343906  0.52931596  0.84859650  1
  C  C74  1  0.36334416  0.59125596  0.14942222  1
  C  C75  1  0.63665087  0.40874533  0.85058106  1
  C  C76  1  0.11558651  0.65432099  0.52197562  1
  C  C77  1  0.88440774  0.34567805  0.47802976  1
  C  C78  1  0.95111707  0.65266282  0.57851560  1
  C  C79  1  0.04887095  0.34734271  0.42148261  1
  C  C80  1  0.97577272  0.54358647  0.64590053  1
  C  C81  1  0.02422569  0.45640733  0.35410308  1
  N  N82  1  0.73467959  0.06890967  0.00969904  1
  N  N83  1  0.26532081  0.93108925  0.99029997  1
  N  N84  1  0.63904080  0.09560727  0.91290393  1
  N  N85  1  0.36096008  0.90439088  0.08709449  1
  N  N86  1  0.00006942  1.00705499  0.82056850  1
  N  N87  1  0.99993106  -0.00705630  0.17943032  1
  N  N88  1  0.06063103  0.08382756  0.73476245  1
  N  N89  1  0.93936714  0.91617425  0.26523953  1
  N  N90  1  0.46541610  0.51503441  0.32557092  1
  N  N91  1  0.53458090  0.48497050  0.67443018  1
  N  N92  1  0.38331356  0.61601613  0.25536373  1
  N  N93  1  0.61667654  0.38398793  0.74463850  1
  N  N94  1  0.23763587  0.54950918  0.55163840  1
  N  N95  1  0.76236132  0.45049846  0.44836239  1
  N  N96  1  0.14804721  0.48372176  0.63065307  1
  N  N97  1  0.85196237  0.51627394  0.36934811  1
  O  O98  1  0.99664245  0.19369345  0.98282939  1
  O  O99  1  0.00335714  0.80630620  0.01716991  1
  O  O100  1  0.11014859  0.26943345  0.80516627  1
  O  O101  1  0.88985121  0.73056778  0.19483348  1
  O  O102  1  0.48367624  0.30997787  0.51661771  1
  O  O103  1  0.51632125  0.69002654  0.48338347  1
  O  O104  1  0.64101301  0.18572701  0.66015392  1
  O  O105  1  0.35898370  0.81427676  0.33984693  1
