# generated using pymatgen
data_CrH20C26S2(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.01442623
_cell_length_b   11.10390043
_cell_length_c   11.69484320
_cell_angle_alpha   62.92390753
_cell_angle_beta   79.18566328
_cell_angle_gamma   77.44988478
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH20C26S2(NO2)2
_chemical_formula_sum   'Cr2 H40 C52 S4 N4 O8'
_cell_volume   1236.63306253
_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  0.80561568  0.22154055  0.33023921  1
  Cr  Cr1  1  0.19438689  0.77846072  0.66975782  1
  H  H2  1  0.74976281  0.43189239  0.43574767  1
  H  H3  1  0.25023843  0.56810392  0.56425610  1
  H  H4  1  0.59188176  0.63480594  0.41219214  1
  H  H5  1  0.40811742  0.36518768  0.58781696  1
  H  H6  1  0.41895153  0.55723597  0.15212765  1
  H  H7  1  0.58105129  0.44276700  0.84787240  1
  H  H8  1  0.58166836  0.35675225  0.18514524  1
  H  H9  1  0.41833558  0.64325225  0.81485122  1
  H  H10  1  0.22583146  0.87465793  0.14479928  1
  H  H11  1  0.77417369  0.12533918  0.85519907  1
  H  H12  1  0.34362746  0.79517187  0.06494742  1
  H  H13  1  0.65638066  0.20482100  0.93505681  1
  H  H14  1  0.15278577  0.63054557  0.38652220  1
  H  H15  1  0.84721624  0.36945648  0.61347803  1
  H  H16  1  0.03422890  0.44242679  0.43824216  1
  H  H17  1  0.96577447  0.55757266  0.56176054  1
  H  H18  1  0.09246858  0.51974707  0.03719356  1
  H  H19  1  0.90753378  0.48024948  0.96281005  1
  H  H20  1  0.23180359  0.68431080  0.99301870  1
  H  H21  1  0.76820214  0.31568417  0.00698358  1
  H  H22  1  0.57944899  0.08645365  0.47200619  1
  H  H23  1  0.42055162  0.91355647  0.52798649  1
  H  H24  1  0.52591467  0.89801290  0.68467953  1
  H  H25  1  0.47408100  0.10199954  0.31531202  1
  H  H26  1  0.88860705  0.88561389  0.78984703  1
  H  H27  1  0.11138615  0.11439277  0.21015353  1
  H  H28  1  0.92823385  0.07091470  0.57522478  1
  H  H29  1  0.07176485  0.92908968  0.42477484  1
  H  H30  1  0.76261394  0.60854288  0.08074569  1
  H  H31  1  0.23737940  0.39145847  0.91924647  1
  H  H32  1  0.86941535  0.69376623  0.94868837  1
  H  H33  1  0.13057634  0.30623977  0.05130438  1
  H  H34  1  0.98015215  0.78685862  0.04161566  1
  H  H35  1  0.01984239  0.21312853  0.95839404  1
  H  H36  1  0.98165842  0.93412275  0.14785489  1
  H  H37  1  0.01833900  0.06586230  0.85215622  1
  H  H38  1  0.57841757  0.01542963  0.17811310  1
  H  H39  1  0.42158039  0.98457027  0.82188820  1
  H  H40  1  0.57747786  0.86139704  0.07896116  1
  H  H41  1  0.42251685  0.13860388  0.92103977  1
  C  C42  1  0.67406799  0.46057252  0.37633123  1
  C  C43  1  0.32593377  0.53942546  0.62367119  1
  C  C44  1  0.58576457  0.57489735  0.36203477  1
  C  C45  1  0.41423662  0.42509976  0.63796984  1
  C  C46  1  0.48965467  0.60937673  0.28352415  1
  C  C47  1  0.51034811  0.39062317  0.71647832  1
  C  C48  1  0.48831512  0.53111563  0.21786866  1
  C  C49  1  0.51168871  0.46888689  0.78213097  1
  C  C50  1  0.57954946  0.41792308  0.23649251  1
  C  C51  1  0.42045398  0.58207999  0.76350569  1
  C  C52  1  0.28303141  0.77664478  0.15550919  1
  C  C53  1  0.71697389  0.22335174  0.84449259  1
  C  C54  1  0.20356948  0.66837717  0.18749938  1
  C  C55  1  0.79643426  0.33162086  0.81250188  1
  C  C56  1  0.14342666  0.60176311  0.31104049  1
  C  C57  1  0.85657611  0.39823651  0.68896070  1
  C  C58  1  0.07295735  0.49940714  0.33905973  1
  C  C59  1  0.92704589  0.50059214  0.66094265  1
  C  C60  1  0.05049416  0.46915994  0.24120262  1
  C  C61  1  0.94950837  0.53083870  0.75880052  1
  C  C62  1  0.10795791  0.53941914  0.11612322  1
  C  C63  1  0.89204444  0.46057913  0.88387953  1
  C  C64  1  0.18556843  0.63457686  0.09071128  1
  C  C65  1  0.81443458  0.36542094  0.90929042  1
  C  C66  1  0.96631703  0.36963277  0.26903435  1
  C  C67  1  0.03368571  0.63036552  0.73096883  1
  C  C68  1  0.64604862  0.03675862  0.54381727  1
  C  C69  1  0.35395016  0.96325094  0.45617645  1
  C  C70  1  0.61598415  0.93284604  0.66403479  1
  C  C71  1  0.38401175  0.06716355  0.33595924  1
  C  C72  1  0.70350004  0.87518201  0.75558009  1
  C  C73  1  0.29649446  0.12482571  0.24441514  1
  C  C74  1  0.81791409  0.92426549  0.72309617  1
  C  C75  1  0.18208145  0.07574038  0.27690150  1
  C  C76  1  0.84177557  0.02776996  0.60129096  1
  C  C77  1  0.15822276  0.97223492  0.39870736  1
  C  C78  1  0.77898363  0.70897491  0.00249329  1
  C  C79  1  0.22100928  0.29102817  0.99750208  1
  C  C80  1  0.77790641  0.80918687  0.05699338  1
  C  C81  1  0.22208796  0.19081115  0.94300734  1
  C  C82  1  0.89123468  0.83384598  0.07416644  1
  C  C83  1  0.10876062  0.16614562  0.92583909  1
  C  C84  1  0.89292562  0.91824227  0.13232522  1
  C  C85  1  0.10707177  0.08174905  0.86768099  1
  C  C86  1  0.78181305  0.98400900  0.17272725  1
  C  C87  1  0.21818504  0.01598842  0.82727346  1
  C  C88  1  0.66745266  0.96485002  0.14993927  1
  C  C89  1  0.33254487  0.03514890  0.85006159  1
  C  C90  1  0.66672929  0.87754873  0.09410887  1
  C  C91  1  0.33326626  0.12245050  0.90589209  1
  C  C92  1  0.79221266  0.07175178  0.23349241  1
  C  C93  1  0.20778734  0.92824721  0.76650594  1
  S  S94  1  0.37967799  0.74833908  0.27720152  1
  S  S95  1  0.62032290  0.25165944  0.72280312  1
  S  S96  1  0.65593992  0.74774347  0.90215615  1
  S  S97  1  0.34405179  0.25226550  0.09783856  1
  N  N98  1  0.66980710  0.37974416  0.31782201  1
  N  N99  1  0.33019598  0.62025665  0.68217719  1
  N  N100  1  0.75886041  0.08214580  0.51019681  1
  N  N101  1  0.24113988  0.91786043  0.48979940  1
  O  O102  1  0.93158523  0.29036144  0.38743849  1
  O  O103  1  0.06841584  0.70963709  0.61256378  1
  O  O104  1  0.92209354  0.36284828  0.17809399  1
  O  O105  1  0.07791110  0.63715007  0.82190746  1
  O  O106  1  0.89808457  0.06922522  0.26673632  1
  O  O107  1  0.10191506  0.93077114  0.73326427  1
  O  O108  1  0.69693150  0.15416437  0.25276897  1
  O  O109  1  0.30307006  0.84583842  0.74722573  1
