# generated using pymatgen
data_CrH12C10(N3O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32625363
_cell_length_b   11.84546643
_cell_length_c   13.33346146
_cell_angle_alpha   116.04558980
_cell_angle_beta   86.95154967
_cell_angle_gamma   90.02101208
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH12C10(N3O4)2
_chemical_formula_sum   'Cr2 H24 C20 N12 O16'
_cell_volume   1037.79349381
_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  0.49994520  0.50003716  0.50004737  1
  Cr  Cr1  1  1.00004267  1.00014415  0.50027034  1
  H  H2  1  0.44860217  0.28936194  0.57911852  1
  H  H3  1  0.05424455  0.70961495  0.42077703  1
  H  H4  1  0.55162550  0.71061552  0.42084526  1
  H  H5  1  0.94944513  0.29028929  0.57887261  1
  H  H6  1  0.45368752  0.26525037  0.75110078  1
  H  H7  1  0.04361948  0.51434126  0.25011677  1
  H  H8  1  0.54624930  0.73471818  0.24886543  1
  H  H9  1  0.95437994  0.48554994  0.75000404  1
  H  H10  1  0.53607577  0.66550779  0.93018055  1
  H  H11  1  0.96162190  0.73508704  0.06880261  1
  H  H12  1  0.46390359  0.33447011  0.06980575  1
  H  H13  1  0.03760312  0.26497035  0.93144125  1
  H  H14  1  0.53060503  0.67779171  0.75170961  1
  H  H15  1  0.97209105  0.92488145  0.24628460  1
  H  H16  1  0.46931847  0.32221730  0.24831538  1
  H  H17  1  0.03221365  0.07515616  0.75348111  1
  H  H18  1  0.39576135  0.74515925  0.59453255  1
  H  H19  1  0.10396009  0.15057315  0.40439486  1
  H  H20  1  0.60402716  0.25488438  0.40556495  1
  H  H21  1  0.89526903  0.84944848  0.59532104  1
  H  H22  1  0.21308394  0.66777388  0.59163892  1
  H  H23  1  0.28653784  0.07592200  0.40636765  1
  H  H24  1  0.78686014  0.33217450  0.40843115  1
  H  H25  1  0.71250616  0.92368346  0.59285754  1
  C  C26  1  0.46976875  0.37226083  0.65684475  1
  C  C27  1  0.03075817  0.71484032  0.34293389  1
  C  C28  1  0.53016771  0.62774047  0.34315880  1
  C  C29  1  0.97043019  0.28510620  0.65701855  1
  C  C30  1  0.47032041  0.35756156  0.75378485  1
  C  C31  1  0.02837025  0.60364210  0.24657581  1
  C  C32  1  0.52960187  0.64241350  0.24620615  1
  C  C33  1  0.97139414  0.39630926  0.75343787  1
  C  C34  1  0.49247907  0.46351178  0.85540385  1
  C  C35  1  0.00586102  0.60797994  0.14454567  1
  C  C36  1  0.50735323  0.53647374  0.14459954  1
  C  C37  1  0.99327573  0.39196985  0.85553356  1
  C  C38  1  0.51570855  0.58076079  0.85407246  1
  C  C39  1  0.98330918  0.72618821  0.14504906  1
  C  C40  1  0.48417867  0.41921992  0.14593426  1
  C  C41  1  0.01708527  0.27387037  0.85507007  1
  C  C42  1  0.51419137  0.58726329  0.75348941  1
  C  C43  1  0.98638355  0.83277479  0.24521536  1
  C  C44  1  0.48562030  0.41275791  0.24654250  1
  C  C45  1  0.01524334  0.16724715  0.75487914  1
  N  N46  1  0.49262083  0.48453580  0.65340986  1
  N  N47  1  0.00770929  0.82998339  0.34561064  1
  N  N48  1  0.50716423  0.51550255  0.34663370  1
  N  N49  1  0.99284358  0.17001229  0.65455314  1
  N  N50  1  0.49127191  0.44908482  0.95608314  1
  N  N51  1  0.00626596  0.49314062  0.04441710  1
  N  N52  1  0.50845950  0.55092177  0.04393313  1
  N  N53  1  0.99076467  0.50675470  0.95577225  1
  N  N54  1  0.86599593  0.62379956  0.58977218  1
  N  N55  1  0.63252533  0.03520386  0.40949828  1
  N  N56  1  0.13395159  0.37644883  0.41024851  1
  N  N57  1  0.36735387  0.96479379  0.59065342  1
  O  O58  1  0.71193184  0.62830117  0.54693092  1
  O  O59  1  0.78588609  0.08310518  0.45266111  1
  O  O60  1  0.28793730  0.37177913  0.45308902  1
  O  O61  1  0.21333595  0.91749090  0.54815859  1
  O  O62  1  0.90656989  0.53565855  0.61054368  1
  O  O63  1  0.59339624  0.92618869  0.38836417  1
  O  O64  1  0.09351816  0.46473621  0.38965334  1
  O  O65  1  0.40778479  0.07340001  0.61101480  1
  O  O66  1  0.97257591  0.71506175  0.60737313  1
  O  O67  1  0.52481599  0.10848343  0.39166605  1
  O  O68  1  0.02725756  0.28518952  0.39246972  1
  O  O69  1  0.47433397  0.89131432  0.60866526  1
  O  O70  1  0.34847727  0.66072477  0.58070633  1
  O  O71  1  0.15101736  0.07938127  0.41748418  1
  O  O72  1  0.65147128  0.33931752  0.41957679  1
  O  O73  1  0.84798277  0.92017470  0.58169389  1
