# generated using pymatgen
data_CrH12C20(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19967522
_cell_length_b   10.06473855
_cell_length_c   10.06369572
_cell_angle_alpha   60.95681795
_cell_angle_beta   85.48094625
_cell_angle_gamma   85.47906495
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH12C20(NO2)2
_chemical_formula_sum   'Cr2 H24 C40 N4 O8'
_cell_volume   811.23521596
_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  0.47874954  0.45007883  0.30937117  1
  Cr  Cr1  1  0.97879138  0.30934408  0.45003851  1
  H  H2  1  0.96052886  0.97822937  0.39914663  1
  H  H3  1  0.46058461  0.39915815  0.97820916  1
  H  H4  1  0.96127205  0.72547667  0.41149954  1
  H  H5  1  0.46135487  0.41151978  0.72542168  1
  H  H6  1  0.49725796  0.78145681  0.35922954  1
  H  H7  1  0.99733991  0.35927204  0.78134210  1
  H  H8  1  0.49658301  0.03431887  0.34662288  1
  H  H9  1  0.99664173  0.34661133  0.03425768  1
  H  H10  1  0.21430912  0.64809768  0.37645601  1
  H  H11  1  0.71444148  0.37647260  0.64806877  1
  H  H12  1  0.12665050  0.91809521  0.24255455  1
  H  H13  1  0.62669648  0.24256542  0.91805420  1
  H  H14  1  0.22322753  0.08977580  0.97609223  1
  H  H15  1  0.72320436  0.97609888  0.08974808  1
  H  H16  1  0.38581779  0.11806887  0.75182837  1
  H  H17  1  0.88578630  0.75184260  0.11808042  1
  H  H18  1  0.56906083  0.00519546  0.63959260  1
  H  H19  1  0.06903765  0.63958609  0.00524572  1
  H  H20  1  0.73291948  0.78132178  0.66920312  1
  H  H21  1  0.23292664  0.66915793  0.78137477  1
  H  H22  1  0.83131899  0.51607771  0.84229989  1
  H  H23  1  0.33134029  0.84221337  0.51610722  1
  H  H24  1  0.74425800  0.38339068  0.11249359  1
  H  H25  1  0.24427256  0.11238903  0.38336517  1
  C  C26  1  0.72558114  0.17357943  0.37470280  1
  C  C27  1  0.22561219  0.37467112  0.17357673  1
  C  C28  1  0.72727607  0.02330257  0.37602283  1
  C  C29  1  0.22733294  0.37600427  0.02327338  1
  C  C30  1  0.85812809  0.93574451  0.39008851  1
  C  C31  1  0.35819670  0.39006928  0.93571816  1
  C  C32  1  0.85945992  0.79399009  0.39541615  1
  C  C33  1  0.35954111  0.39540484  0.79394317  1
  C  C34  1  0.73045419  0.73619633  0.38274772  1
  C  C35  1  0.23053801  0.38274779  0.73613130  1
  C  C36  1  0.59963168  0.82385296  0.36846108  1
  C  C37  1  0.09970989  0.36845349  0.82377984  1
  C  C38  1  0.59832409  0.96563678  0.36306179  1
  C  C39  1  0.09838896  0.36304152  0.96558306  1
  C  C40  1  0.73201633  0.58566111  0.38461831  1
  C  C41  1  0.23210581  0.38460884  0.58558994  1
  C  C42  1  0.26189002  0.72473459  0.26467017  1
  C  C43  1  0.76198673  0.26467316  0.72471573  1
  C  C44  1  0.21024095  0.87650380  0.18717057  1
  C  C45  1  0.71029057  0.18717694  0.87647590  1
  C  C46  1  0.26283564  0.97182234  0.04080165  1
  C  C47  1  0.76285296  0.04080474  0.97180491  1
  C  C48  1  0.36928944  0.91403352  0.97195524  1
  C  C49  1  0.86931635  0.97194912  0.91403091  1
  C  C50  1  0.42640925  0.00049155  0.81993834  1
  C  C51  1  0.92640401  0.81993427  0.00050364  1
  C  C52  1  0.52892402  0.93764685  0.75740927  1
  C  C53  1  0.02892518  0.75739979  0.93766747  1
  C  C54  1  0.58673580  0.78607097  0.84460795  1
  C  C55  1  0.08675721  0.84457778  0.78608578  1
  C  C56  1  0.69361828  0.71708862  0.78734178  1
  C  C57  1  0.19363105  0.78729034  0.71712140  1
  C  C58  1  0.74718477  0.57138666  0.88340430  1
  C  C59  1  0.24720169  0.88333040  0.57140781  1
  C  C60  1  0.69588634  0.49455264  0.03535114  1
  C  C61  1  0.19591580  0.03526738  0.49455130  1
  C  C62  1  0.53422836  0.69900108  0.99821902  1
  C  C63  1  0.03427370  0.99819137  0.69899939  1
  C  C64  1  0.42229078  0.76072383  0.05969180  1
  C  C65  1  0.92235079  0.05967997  0.76071802  1
  N  N66  1  0.58882969  0.55484054  0.09344576  1
  N  N67  1  0.08887730  0.09339593  0.55483011  1
  N  N68  1  0.36845702  0.66611900  0.20437486  1
  N  N69  1  0.86855650  0.20437368  0.66611191  1
  O  O70  1  0.60687987  0.53045211  0.40016977  1
  O  O71  1  0.10698004  0.40016357  0.53035238  1
  O  O72  1  0.85382058  0.52290532  0.37132193  1
  O  O73  1  0.35391179  0.37126987  0.52286169  1
  O  O74  1  0.85072145  0.22866504  0.35946743  1
  O  O75  1  0.35072158  0.35943764  0.22871685  1
  O  O76  1  0.60376711  0.23626722  0.38805207  1
  O  O77  1  0.10376453  0.38799843  0.23624252  1
