# generated using pymatgen
data_CrNiH24C20(N3O4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32621181
_cell_length_b   11.84531837
_cell_length_c   13.32731407
_cell_angle_alpha   116.03359477
_cell_angle_beta   86.95358724
_cell_angle_gamma   90.01666056
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiH24C20(N3O4)4
_chemical_formula_sum   'Cr1 Ni1 H24 C20 N12 O16'
_cell_volume   1037.40278048
_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  0.49995836  0.50003234  0.50003631  1
  Cr  Cr1  1  0.99994136  1.00014437  0.50028481  1
  H  H2  1  0.44861786  0.29002621  0.57824223  1
  H  H3  1  0.05352531  0.70870355  0.42099426  1
  H  H4  1  0.55161196  0.70999175  0.42173394  1
  H  H5  1  0.95039551  0.29130738  0.57862216  1
  H  H6  1  0.45376146  0.26572164  0.75099118  1
  H  H7  1  0.04337679  0.51412170  0.25020604  1
  H  H8  1  0.54616686  0.73425864  0.24896433  1
  H  H9  1  0.95440163  0.48570239  0.74988074  1
  H  H10  1  0.53665368  0.66604330  0.92864137  1
  H  H11  1  0.96109449  0.73550298  0.06927419  1
  H  H12  1  0.46329725  0.33394462  0.07139158  1
  H  H13  1  0.03802297  0.26453039  0.93093746  1
  H  H14  1  0.53002610  0.67615128  0.74871629  1
  H  H15  1  0.97225972  0.92506930  0.24702514  1
  H  H16  1  0.46989984  0.32388757  0.25134114  1
  H  H17  1  0.03206763  0.07498589  0.75272731  1
  H  H18  1  0.39417174  0.74428994  0.59513201  1
  H  H19  1  0.10311014  0.15298949  0.40505765  1
  H  H20  1  0.60540635  0.25566765  0.40488305  1
  H  H21  1  0.89620490  0.84704919  0.59478940  1
  H  H22  1  0.21169856  0.66955386  0.59270215  1
  H  H23  1  0.28435247  0.07590658  0.40636454  1
  H  H24  1  0.78797480  0.33041306  0.40741046  1
  H  H25  1  0.71461116  0.92363558  0.59305305  1
  C  C26  1  0.46963924  0.37258609  0.65628397  1
  C  C27  1  0.03087909  0.71448120  0.34320073  1
  C  C28  1  0.53042082  0.62743075  0.34371675  1
  C  C29  1  0.97061684  0.28543824  0.65664830  1
  C  C30  1  0.47027832  0.35792986  0.75351467  1
  C  C31  1  0.02831403  0.60347244  0.24668677  1
  C  C32  1  0.52967558  0.64206246  0.24647611  1
  C  C33  1  0.97140917  0.39641537  0.75327441  1
  C  C34  1  0.49271892  0.46405592  0.85487379  1
  C  C35  1  0.00554894  0.60799986  0.14470918  1
  C  C36  1  0.50714147  0.53593453  0.14513344  1
  C  C37  1  0.99347622  0.39192080  0.85533614  1
  C  C38  1  0.51607196  0.58091600  0.85288563  1
  C  C39  1  0.98307923  0.72637108  0.14543485  1
  C  C40  1  0.48385144  0.41908052  0.14714517  1
  C  C41  1  0.01730772  0.27366600  0.85464795  1
  C  C42  1  0.51406629  0.58609856  0.75131948  1
  C  C43  1  0.98669161  0.83283649  0.24571675  1
  C  C44  1  0.48587520  0.41393240  0.24872553  1
  C  C45  1  0.01513908  0.16718146  0.75430648  1
  N  N46  1  0.49243486  0.48376993  0.65314441  1
  N  N47  1  0.00829666  0.82965718  0.34598378  1
  N  N48  1  0.50755916  0.51626830  0.34689098  1
  N  N49  1  0.99250108  0.17029325  0.65408590  1
  N  N50  1  0.49139021  0.44922852  0.95591902  1
  N  N51  1  0.00587824  0.49312718  0.04448112  1
  N  N52  1  0.50836106  0.55075853  0.04409331  1
  N  N53  1  0.99115432  0.50674283  0.95567354  1
  N  N54  1  0.86623718  0.62704025  0.59015679  1
  N  N55  1  0.63164734  0.03271174  0.40922798  1
  N  N56  1  0.13377434  0.37318444  0.40989457  1
  N  N57  1  0.36810544  0.96732494  0.59088853  1
  O  O58  1  0.71546244  0.63039812  0.54671574  1
  O  O59  1  0.78475719  0.08160226  0.45281075  1
  O  O60  1  0.28444015  0.36973569  0.45339521  1
  O  O61  1  0.21430138  0.91902380  0.54808889  1
  O  O62  1  0.90922369  0.53977326  0.61231957  1
  O  O63  1  0.59494935  0.92326507  0.38845427  1
  O  O64  1  0.09101520  0.46050693  0.38775984  1
  O  O65  1  0.40588956  0.07641160  0.61093791  1
  O  O66  1  0.97311518  0.71982860  0.60934702  1
  O  O67  1  0.52336383  0.10447266  0.39092861  1
  O  O68  1  0.02678668  0.28042323  0.39063470  1
  O  O69  1  0.47588997  0.89536641  0.60925894  1
  O  O70  1  0.34669961  0.66207180  0.58485533  1
  O  O71  1  0.14885872  0.08015525  0.41739351  1
  O  O72  1  0.65297638  0.33787998  0.41521035  1
  O  O73  1  0.85012033  0.91954247  0.58209008  1
