# generated using pymatgen
data_NiH14C16(NO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86542145
_cell_length_b   11.62564224
_cell_length_c   12.29068311
_cell_angle_alpha   118.36605835
_cell_angle_beta   100.16836152
_cell_angle_gamma   89.90457683
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH14C16(NO3)2
_chemical_formula_sum   'Ni2 H28 C32 N4 O12'
_cell_volume   968.99698998
_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
  Ni  Ni0  1  0.99999901  0.99999923  0.49999866  1
  Ni  Ni1  1  0.50000185  0.50000045  0.50000138  1
  H  H2  1  0.84141017  0.90769282  0.61977607  1
  H  H3  1  0.65893781  0.28712782  0.38049492  1
  H  H4  1  0.15858870  0.09230605  0.38022217  1
  H  H5  1  0.34106571  0.71287321  0.61950624  1
  H  H6  1  0.02614373  0.84864657  0.61454286  1
  H  H7  1  0.47401351  0.23349316  0.38541698  1
  H  H8  1  0.97385607  0.15135290  0.38545587  1
  H  H9  1  0.52599009  0.76650728  0.61458439  1
  H  H10  1  0.76815827  0.94286700  0.25725080  1
  H  H11  1  0.72970056  0.68774971  0.74521083  1
  H  H12  1  0.23183999  0.05713245  0.74274681  1
  H  H13  1  0.27030149  0.31225224  0.25479581  1
  H  H14  1  0.57870574  0.75524761  0.07928113  1
  H  H15  1  0.91831140  0.67796469  0.92319505  1
  H  H16  1  0.42129439  0.24475208  0.92071479  1
  H  H17  1  0.08168655  0.32203507  0.07681165  1
  H  H18  1  0.79441320  0.51316600  0.24129939  1
  H  H19  1  0.70836839  0.27157626  0.75655130  1
  H  H20  1  0.20558077  0.48683300  0.75869734  1
  H  H21  1  0.29163237  0.72842179  0.24344787  1
  H  H22  1  0.98664609  0.70721195  0.40472565  1
  H  H23  1  0.51509663  0.30289231  0.59419124  1
  H  H24  1  0.01334845  0.29278770  0.59527278  1
  H  H25  1  0.48490600  0.69710880  0.40580776  1
  H  H26  1  0.57242190  0.41188604  0.05566532  1
  H  H27  1  0.92963164  0.35536065  0.94202834  1
  H  H28  1  0.42757470  0.58811354  0.94433082  1
  H  H29  1  0.07036644  0.64463680  0.05797357  1
  C  C30  1  0.77031093  0.84577564  0.24965506  1
  C  C31  1  0.72842388  0.59778931  0.75195221  1
  C  C32  1  0.22968671  0.15422377  0.75034244  1
  C  C33  1  0.27157766  0.40221154  0.24805244  1
  C  C34  1  0.66375910  0.74033125  0.15092369  1
  C  C35  1  0.83472404  0.59090851  0.85057953  1
  C  C36  1  0.33623908  0.25966826  0.84907298  1
  C  C37  1  0.16527566  0.40909130  0.14942533  1
  C  C38  1  0.66785200  0.61636841  0.14592656  1
  C  C39  1  0.83235760  0.47116010  0.85413075  1
  C  C40  1  0.33214458  0.38363109  0.85406994  1
  C  C41  1  0.16764220  0.52883850  0.14587200  1
  C  C42  1  0.78614977  0.60671300  0.24100955  1
  C  C43  1  0.71534282  0.36604028  0.75803854  1
  C  C44  1  0.21384523  0.39328616  0.75898739  1
  C  C45  1  0.28465831  0.63395870  0.24196239  1
  C  C46  1  0.89111232  0.71613993  0.33393858  1
  C  C47  1  0.60998657  0.38286422  0.66557520  1
  C  C48  1  0.10888265  0.28385855  0.66605895  1
  C  C49  1  0.39001604  0.61713580  0.33442602  1
  C  C50  1  0.62228594  0.03645858  0.50229134  1
  C  C51  1  0.87760583  0.53430636  0.49775228  1
  C  C52  1  0.37771232  0.96354269  0.49770909  1
  C  C53  1  0.12239753  0.46569517  0.50225032  1
  C  C54  1  0.55660505  0.94526223  0.54076658  1
  C  C55  1  0.94361068  0.40436976  0.45903881  1
  C  C56  1  0.44339340  0.05473929  0.45923416  1
  C  C57  1  0.05639252  0.59563162  0.54096373  1
  C  C58  1  0.55885312  0.50174995  0.04868323  1
  C  C59  1  0.94174080  0.45305953  0.95072362  1
  C  C60  1  0.44114348  0.49824965  0.95131294  1
  C  C61  1  0.05825763  0.54693807  0.04927870  1
  N  N62  1  0.88059399  0.83546698  0.34176559  1
  N  N63  1  0.61949966  0.49496652  0.65883333  1
  N  N64  1  0.11940204  0.16453196  0.65823231  1
  N  N65  1  0.38050382  0.50503455  0.34116965  1
  O  O66  1  0.96541324  0.92518959  0.61892211  1
  O  O67  1  0.53488524  0.30563281  0.38132565  1
  O  O68  1  0.03458546  0.07480914  0.38107547  1
  O  O69  1  0.46511831  0.69436822  0.61867669  1
  O  O70  1  0.76762244  0.09086582  0.51510420  1
  O  O71  1  0.73208456  0.57608043  0.48544504  1
  O  O72  1  0.23237611  0.90913376  0.48489406  1
  O  O73  1  0.26791890  0.42392121  0.51455795  1
  O  O74  1  0.62799011  0.88898545  0.60037560  1
  O  O75  1  0.87230964  0.28835415  0.39985683  1
  O  O76  1  0.37200880  0.11101561  0.39962452  1
  O  O77  1  0.12769362  0.71164708  0.60014231  1
