# generated using pymatgen
data_CrH22C14N2Cl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34192431
_cell_length_b   9.33748092
_cell_length_c   13.01988616
_cell_angle_alpha   110.01964376
_cell_angle_beta   90.00032524
_cell_angle_gamma   89.99988282
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH22C14N2Cl2O
_chemical_formula_sum   'Cr2 H44 C28 N4 Cl4 O2'
_cell_volume   838.64548010
_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  0.64154198  0.46769827  0.74870768  1
  Cr  Cr1  1  0.14154032  0.53230090  0.25129104  1
  H  H2  1  0.17635773  0.65308521  0.59494251  1
  H  H3  1  0.67635968  0.34691775  0.40505958  1
  H  H4  1  0.88333281  0.52005623  0.58667834  1
  H  H5  1  0.38332613  0.47993393  0.41331905  1
  H  H6  1  0.94912585  0.51725438  0.90633885  1
  H  H7  1  0.44912361  0.48274804  0.09366233  1
  H  H8  1  0.25155706  0.64024001  0.92289949  1
  H  H9  1  0.75155761  0.35976596  0.07710369  1
  H  H10  1  0.13777601  0.90596762  0.74920535  1
  H  H11  1  0.63777420  0.09403119  0.25079447  1
  H  H12  1  0.27551644  0.03973325  0.71483464  1
  H  H13  1  0.77551811  0.96026529  0.28516440  1
  H  H14  1  0.36839395  0.15620347  0.91145746  1
  H  H15  1  0.86839497  0.84379703  0.08854298  1
  H  H16  1  0.30664504  0.93468718  0.97366206  1
  H  H17  1  0.80664513  0.06531323  0.02633707  1
  H  H18  1  0.07091553  0.94993845  0.95187471  1
  H  H19  1  0.57091622  0.05006101  0.04812339  1
  H  H20  1  0.18640831  0.10002053  0.05391133  1
  H  H21  1  0.68640937  0.89997929  0.94608774  1
  H  H22  1  0.08074323  0.29685181  0.97046876  1
  H  H23  1  0.58074604  0.70314867  0.02952708  1
  H  H24  1  0.95738477  0.15368861  0.86788763  1
  H  H25  1  0.45738548  0.84630967  0.13210752  1
  H  H26  1  0.12420226  0.26490258  0.82980146  1
  H  H27  1  0.62420215  0.73509484  0.17019428  1
  H  H28  1  0.70571806  0.87845686  0.76093203  1
  H  H29  1  0.20571666  0.12154205  0.23906763  1
  H  H30  1  0.60433484  0.06254563  0.80327246  1
  H  H31  1  0.10433203  0.93745461  0.19672782  1
  H  H32  1  0.51821412  0.03460876  0.61732979  1
  H  H33  1  0.01821461  0.96539239  0.38267053  1
  H  H34  1  0.82246746  0.02661524  0.53782504  1
  H  H35  1  0.32247103  0.97338652  0.46217535  1
  H  H36  1  0.91379775  0.93440991  0.62531487  1
  H  H37  1  0.41379845  0.06559136  0.37468456  1
  H  H38  1  0.82918254  0.12505994  0.68135429  1
  H  H39  1  0.32918319  0.87494056  0.31864595  1
  H  H40  1  0.60793450  0.80293025  0.45805992  1
  H  H41  1  0.10793668  0.19706998  0.54194015  1
  H  H42  1  0.44413295  0.75806775  0.54320574  1
  H  H43  1  0.94413376  0.24193162  0.45679445  1
  H  H44  1  0.67677138  0.71023797  0.55014264  1
  H  H45  1  0.17677067  0.28976358  0.44985869  1
  C  C46  1  0.23684652  0.66170938  0.76132139  1
  C  C47  1  0.73684668  0.33829445  0.23868190  1
  C  C48  1  0.13178898  0.62516538  0.66564121  1
  C  C49  1  0.63178959  0.37483684  0.33436088  1
  C  C50  1  0.96753571  0.55010673  0.65984045  1
  C  C51  1  0.46753323  0.44989010  0.34015988  1
  C  C52  1  0.00527450  0.54765069  0.83918667  1
  C  C53  1  0.50527285  0.45235200  0.16081517  1
  C  C54  1  0.17397849  0.61705673  0.84778246  1
  C  C55  1  0.67397850  0.38294810  0.15222065  1
  C  C56  1  0.41430764  0.74136969  0.76813541  1
  C  C57  1  0.91430704  0.25863193  0.23186645  1
  C  C58  1  0.25982597  0.97812412  0.77255997  1
  C  C59  1  0.75982593  0.02187623  0.22743974  1
  C  C60  1  0.23862294  0.09357243  0.88910137  1
  C  C61  1  0.73862328  0.90642752  0.11089759  1
  C  C62  1  0.19867271  0.01503924  0.97172747  1
  C  C63  1  0.69867357  0.98496086  0.02827145  1
  C  C64  1  0.09128005  0.20874304  0.88912884  1
  C  C65  1  0.59128096  0.79125571  0.11086768  1
  C  C66  1  0.59585127  0.94625511  0.74351551  1
  C  C67  1  0.09585050  0.05374497  0.25648471  1
  C  C68  1  0.61801055  0.95213953  0.62758743  1
  C  C69  1  0.11801060  0.04786146  0.37241296  1
  C  C70  1  0.80751265  0.01330131  0.61794056  1
  C  C71  1  0.30751398  0.98669955  0.38205937  1
  C  C72  1  0.58438449  0.79697745  0.53980525  1
  C  C73  1  0.08438544  0.20302298  0.46019524  1
  N  N74  1  0.90299961  0.51516408  0.74669229  1
  N  N75  1  0.40299748  0.48483416  0.25330823  1
  N  N76  1  0.42077126  0.88006007  0.75937735  1
  N  N77  1  0.92077063  0.11994111  0.24062366  1
  Cl  Cl78  1  0.53706547  0.32406187  0.57862835  1
  Cl  Cl79  1  0.03706651  0.67593527  0.42137047  1
  Cl  Cl80  1  0.58612722  0.36890926  0.88427181  1
  Cl  Cl81  1  0.08612848  0.63108833  0.11572594  1
  O  O82  1  0.56494456  0.68030060  0.78239601  1
  O  O83  1  0.06494508  0.31969971  0.21760626  1
