# generated using pymatgen
data_CrNiH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85822943
_cell_length_b   11.62177434
_cell_length_c   12.28715206
_cell_angle_alpha   118.37201253
_cell_angle_beta   100.16806350
_cell_angle_gamma   89.91178375
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiH28C32(NO3)4
_chemical_formula_sum   'Cr1 Ni1 H28 C32 N4 O12'
_cell_volume   967.44200505
_cell_formula_units_Z   1
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
  Ni  Ni0  1  0.99999964  0.99999923  0.49999866  1
  Cr  Cr1  1  0.50000185  0.50000079  0.50000161  1
  H  H2  1  0.83992390  0.90622913  0.61873288  1
  H  H3  1  0.66555098  0.29115694  0.38547816  1
  H  H4  1  0.16007515  0.09376973  0.38126517  1
  H  H5  1  0.33445271  0.70884465  0.61452404  1
  H  H6  1  0.02590479  0.84887227  0.61416395  1
  H  H7  1  0.47541618  0.23672388  0.38922517  1
  H  H8  1  0.97409492  0.15112749  0.38583485  1
  H  H9  1  0.52458685  0.76327688  0.61077597  1
  H  H10  1  0.76880656  0.94365568  0.25841279  1
  H  H11  1  0.73118509  0.68849192  0.74545235  1
  H  H12  1  0.23119178  0.05634386  0.74158514  1
  H  H13  1  0.26881671  0.31151030  0.25455402  1
  H  H14  1  0.57959184  0.75636269  0.07975647  1
  H  H15  1  0.91850505  0.67874653  0.92388229  1
  H  H16  1  0.42040876  0.24363712  0.92023968  1
  H  H17  1  0.08149263  0.32125302  0.07612428  1
  H  H18  1  0.79624692  0.51317166  0.24056646  1
  H  H19  1  0.70842230  0.27192819  0.75756885  1
  H  H20  1  0.20374677  0.48682697  0.75943015  1
  H  H21  1  0.29157860  0.72806987  0.24243071  1
  H  H22  1  0.98573867  0.70761790  0.40544303  1
  H  H23  1  0.51649224  0.30138444  0.59430045  1
  H  H24  1  0.01425516  0.29238062  0.59455520  1
  H  H25  1  0.48351111  0.69861626  0.40569868  1
  H  H26  1  0.57316514  0.41208903  0.05567176  1
  H  H27  1  0.92908681  0.35529323  0.94173236  1
  H  H28  1  0.42683144  0.58791070  0.94432419  1
  H  H29  1  0.07091091  0.64470425  0.05826934  1
  C  C30  1  0.77077719  0.84629952  0.25021699  1
  C  C31  1  0.72924757  0.59884172  0.75296138  1
  C  C32  1  0.22922034  0.15369983  0.74978063  1
  C  C33  1  0.27075418  0.40115929  0.24704309  1
  C  C34  1  0.66400185  0.74103795  0.15141228  1
  C  C35  1  0.83531235  0.59157554  0.85109550  1
  C  C36  1  0.33599650  0.25896168  0.84858457  1
  C  C37  1  0.16468698  0.40842407  0.14890906  1
  C  C38  1  0.66776480  0.61679024  0.14597441  1
  C  C39  1  0.83292690  0.47156176  0.85450921  1
  C  C40  1  0.33223177  0.38320929  0.85402221  1
  C  C41  1  0.16707238  0.52843680  0.14549329  1
  C  C42  1  0.78584607  0.60704312  0.24115374  1
  C  C43  1  0.71629655  0.36608807  0.75847298  1
  C  C44  1  0.21414903  0.39295571  0.75884312  1
  C  C45  1  0.28370415  0.63391065  0.24152790  1
  C  C46  1  0.89065288  0.71641987  0.33441717  1
  C  C47  1  0.61057988  0.38190932  0.66579165  1
  C  C48  1  0.10934261  0.28357859  0.66558014  1
  C  C49  1  0.38942291  0.61809076  0.33420925  1
  C  C50  1  0.62259058  0.03536217  0.50159251  1
  C  C51  1  0.87748728  0.53300860  0.49964125  1
  C  C52  1  0.37740769  0.96463888  0.49840791  1
  C  C53  1  0.12251627  0.46699293  0.50036102  1
  C  C54  1  0.55592217  0.94485329  0.54044637  1
  C  C55  1  0.94519408  0.40411270  0.45953055  1
  C  C56  1  0.44407624  0.05514813  0.45955459  1
  C  C57  1  0.05480945  0.59588880  0.54047168  1
  C  C58  1  0.55909812  0.50193679  0.04868397  1
  C  C59  1  0.94169855  0.45310984  0.95071918  1
  C  C60  1  0.44089831  0.49806296  0.95131205  1
  C  C61  1  0.05829971  0.54688790  0.04928316  1
  N  N62  1  0.88122989  0.83576172  0.34216935  1
  N  N63  1  0.61857517  0.49519195  0.65959545  1
  N  N64  1  0.11876610  0.16423714  0.65782851  1
  N  N65  1  0.38142870  0.50480915  0.34040711  1
  O  O66  1  0.96385828  0.92495750  0.61869068  1
  O  O67  1  0.53964859  0.30979330  0.38724807  1
  O  O68  1  0.03614032  0.07504118  0.38130653  1
  O  O69  1  0.46035521  0.69020841  0.61275515  1
  O  O70  1  0.76720169  0.09017113  0.51285312  1
  O  O71  1  0.72760123  0.57369172  0.49041838  1
  O  O72  1  0.23279669  0.90982833  0.48714499  1
  O  O73  1  0.27240209  0.42630985  0.50958499  1
  O  O74  1  0.62521811  0.88523489  0.59773089  1
  O  O75  1  0.87172520  0.28788123  0.40181842  1
  O  O76  1  0.37478097  0.11476600  0.40226929  1
  O  O77  1  0.12827805  0.71212020  0.59818104  1
