# generated using pymatgen
data_CrNiH24C20(N3O4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32577912
_cell_length_b   11.84571216
_cell_length_c   13.33078512
_cell_angle_alpha   116.06847379
_cell_angle_beta   86.95194152
_cell_angle_gamma   90.01915458
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiH24C20(N3O4)4
_chemical_formula_sum   'Cr1 Ni1 H24 C20 N12 O16'
_cell_volume   1037.33570533
_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
  Cr  Cr0  1  0.49994748  0.50004610  0.50000786  1
  Ni  Ni1  1  1.00016037  1.00007837  0.50012684  1
  H  H2  1  0.44939173  0.28814281  0.57920212  1
  H  H3  1  0.05418086  0.71041353  0.42131028  1
  H  H4  1  0.55077010  0.71187619  0.42077676  1
  H  H5  1  0.94951128  0.28968621  0.57842157  1
  H  H6  1  0.45365731  0.26534916  0.75157049  1
  H  H7  1  0.04347815  0.51499401  0.24987228  1
  H  H8  1  0.54628859  0.73463586  0.24838590  1
  H  H9  1  0.95421920  0.48479374  0.75023050  1
  H  H10  1  0.53682470  0.66590201  0.92968173  1
  H  H11  1  0.96052136  0.73750266  0.07055306  1
  H  H12  1  0.46314047  0.33408072  0.07031923  1
  H  H13  1  0.03853756  0.26248694  0.92964636  1
  H  H14  1  0.53077316  0.67717516  0.75052697  1
  H  H15  1  0.97256628  0.92638354  0.24919280  1
  H  H16  1  0.46917622  0.32285729  0.24952817  1
  H  H17  1  0.03179717  0.07368221  0.75065238  1
  H  H18  1  0.39678662  0.74729373  0.59428061  1
  H  H19  1  0.10360885  0.14943619  0.40402957  1
  H  H20  1  0.60286282  0.25263712  0.40573703  1
  H  H21  1  0.89549353  0.85058959  0.59567819  1
  H  H22  1  0.21494611  0.66933662  0.59284501  1
  H  H23  1  0.28636628  0.07649703  0.40537819  1
  H  H24  1  0.78476708  0.33068693  0.40722321  1
  H  H25  1  0.71244989  0.92299548  0.59406642  1
  C  C26  1  0.46986571  0.37167541  0.65675377  1
  C  C27  1  0.03113114  0.71572289  0.34343944  1
  C  C28  1  0.53014070  0.62835207  0.34324593  1
  C  C29  1  0.97043706  0.28420688  0.65645083  1
  C  C30  1  0.47030835  0.35751791  0.75396119  1
  C  C31  1  0.02826861  0.60448278  0.24674657  1
  C  C32  1  0.52964703  0.64247421  0.24601928  1
  C  C33  1  0.97147880  0.39540439  0.75327282  1
  C  C34  1  0.49276633  0.46378632  0.85533284  1
  C  C35  1  0.00507681  0.60938567  0.14506872  1
  C  C36  1  0.50710363  0.53620131  0.14466840  1
  C  C37  1  0.99394859  0.39050420  0.85501808  1
  C  C38  1  0.51620193  0.58094371  0.85371788  1
  C  C39  1  0.98267884  0.72792779  0.14643271  1
  C  C40  1  0.48372292  0.41904119  0.14628862  1
  C  C41  1  0.01775519  0.27204797  0.85361355  1
  C  C42  1  0.51427450  0.58695096  0.75287633  1
  C  C43  1  0.98681539  0.83408660  0.24758070  1
  C  C44  1  0.48563880  0.41306930  0.24714565  1
  C  C45  1  0.01520954  0.16589811  0.75237252  1
  N  N46  1  0.49237644  0.48373884  0.65320006  1
  N  N47  1  0.00838327  0.82987512  0.34622329  1
  N  N48  1  0.50751005  0.51631272  0.34682895  1
  N  N49  1  0.99279194  0.17007084  0.65379020  1
  N  N50  1  0.49133837  0.44907510  0.95589578  1
  N  N51  1  0.00530127  0.49366645  0.04474899  1
  N  N52  1  0.50844914  0.55090941  0.04411078  1
  N  N53  1  0.99173444  0.50618484  0.95544009  1
  N  N54  1  0.86870841  0.62329829  0.59067182  1
  N  N55  1  0.63344131  0.03698957  0.40926975  1
  N  N56  1  0.13133017  0.37693645  0.40930788  1
  N  N57  1  0.36625502  0.96306279  0.59091669  1
  O  O58  1  0.71512787  0.62875559  0.54746050  1
  O  O59  1  0.78388253  0.08355684  0.45328402  1
  O  O60  1  0.28486276  0.37140029  0.45253113  1
  O  O61  1  0.21471623  0.91733109  0.54807906  1
  O  O62  1  0.90661154  0.53426595  0.61100276  1
  O  O63  1  0.59094989  0.92759393  0.38657322  1
  O  O64  1  0.09345928  0.46610038  0.38916293  1
  O  O65  1  0.41026754  0.07194828  0.61269846  1
  O  O66  1  0.97643705  0.71354444  0.60909243  1
  O  O67  1  0.52655385  0.11074128  0.39005490  1
  O  O68  1  0.02361337  0.28663520  0.39070170  1
  O  O69  1  0.47263617  0.88899262  0.61004287  1
  O  O70  1  0.35040429  0.66215295  0.58130461  1
  O  O71  1  0.15145745  0.07724714  0.41400816  1
  O  O72  1  0.64934144  0.33782320  0.41893132  1
  O  O73  1  0.84736544  0.92255644  0.58549784  1
