# generated using pymatgen
data_CrH10C14(N3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11873350
_cell_length_b   9.35930036
_cell_length_c   9.35929246
_cell_angle_alpha   81.14451527
_cell_angle_beta   75.71169681
_cell_angle_gamma   75.71183771
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH10C14(N3O2)2
_chemical_formula_sum   'Cr2 H20 C28 N12 O8'
_cell_volume   746.42534546
_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  0.74108379  0.94726224  0.71610489  1
  Cr  Cr1  1  0.24108043  0.71610226  0.94727168  1
  H  H2  1  0.37694042  0.02330216  0.62055513  1
  H  H3  1  0.87694502  0.62055475  0.02329735  1
  H  H4  1  0.59587511  0.48016189  0.77944717  1
  H  H5  1  0.09586885  0.77944887  0.48017520  1
  H  H6  1  0.87484513  0.87756409  0.18405185  1
  H  H7  1  0.37484776  0.18404972  0.87756237  1
  H  H8  1  0.08622776  0.30544842  0.23869490  1
  H  H9  1  0.58623376  0.23870782  0.30545383  1
  H  H10  1  0.58287007  0.93139526  0.08542898  1
  H  H11  1  0.08287134  0.08543271  0.93137553  1
  H  H12  1  0.96591515  0.10415930  0.40015176  1
  H  H13  1  0.46591018  0.40015695  0.10416763  1
  H  H14  1  0.79246141  0.62887456  0.53236461  1
  H  H15  1  0.29244735  0.53236158  0.62888570  1
  H  H16  1  0.19475165  0.03775631  0.45704855  1
  H  H17  1  0.69475447  0.45705246  0.03773979  1
  H  H18  1  0.29526209  0.99249838  0.19002281  1
  H  H19  1  0.79526306  0.19002886  0.99247556  1
  H  H20  1  0.99297299  0.56686120  0.29987710  1
  H  H21  1  0.49297430  0.29988530  0.56686885  1
  C  C22  1  0.41995342  0.00177323  0.50484533  1
  C  C23  1  0.91995665  0.50484636  0.00176482  1
  C  C24  1  0.44650416  0.90360096  0.86091511  1
  C  C25  1  0.94650510  0.86090892  0.90360600  1
  C  C26  1  0.54693281  0.74940839  0.83250465  1
  C  C27  1  0.04693566  0.83250304  0.74941388  1
  C  C28  1  0.99641360  0.33184750  0.33842014  1
  C  C29  1  0.49641329  0.33842783  0.33185469  1
  C  C30  1  0.53542978  0.95054393  0.20084040  1
  C  C31  1  0.03543131  0.20084350  0.95052634  1
  C  C32  1  0.83013661  0.25380436  0.56136016  1
  C  C33  1  0.33012393  0.56136039  0.25381511  1
  C  C34  1  0.93557629  0.21770355  0.42954815  1
  C  C35  1  0.43557085  0.42955318  0.21771260  1
  C  C36  1  0.83457746  0.51574410  0.50337877  1
  C  C37  1  0.33456701  0.50337814  0.51575452  1
  C  C38  1  0.77928959  0.40029855  0.59621247  1
  C  C39  1  0.27927630  0.59621160  0.40030954  1
  C  C40  1  0.63491978  0.93889298  0.29605893  1
  C  C41  1  0.13492231  0.29606005  0.93888019  1
  C  C42  1  0.31958144  0.01138540  0.41099281  1
  C  C43  1  0.81958405  0.41099561  0.01137112  1
  C  C44  1  0.37606865  0.98613606  0.26065196  1
  C  C45  1  0.87607024  0.26065664  0.98611757  1
  C  C46  1  0.94517450  0.47938502  0.37398647  1
  C  C47  1  0.44517077  0.37399174  0.47939399  1
  C  C48  1  0.57913215  0.96451094  0.44475349  1
  C  C49  1  0.07913501  0.44475346  0.96450284  1
  N  N50  1  0.83729675  0.92023683  0.39988251  1
  N  N51  1  0.33729919  0.39987962  0.92024048  1
  N  N52  1  0.65125489  0.25600574  0.77237717  1
  N  N53  1  0.15124116  0.77237601  0.25601805  1
  N  N54  1  0.70988570  0.94911913  0.50425448  1
  N  N55  1  0.20988830  0.50425164  0.94912143  1
  N  N56  1  0.67418893  0.39228907  0.72963077  1
  N  N57  1  0.17417707  0.72962874  0.39230097  1
  N  N58  1  0.75188795  0.16864651  0.67783790  1
  N  N59  1  0.25187417  0.67783644  0.16865785  1
  N  N60  1  0.79346317  0.91235074  0.27705949  1
  N  N61  1  0.29346530  0.27705881  0.91234490  1
  O  O62  1  0.47669713  0.64215888  0.87220245  1
  O  O63  1  0.97670117  0.87219872  0.64216278  1
  O  O64  1  0.51435126  0.01195175  0.81689453  1
  O  O65  1  1.01435144  0.81689177  0.01195710  1
  O  O66  1  0.30471162  0.91511742  0.92441838  1
  O  O67  1  0.80471086  0.92440385  0.91512217  1
  O  O68  1  0.68862001  0.73929603  0.76997142  1
  O  O69  1  0.18862291  0.76997238  0.73930221  1
