# generated using pymatgen
data_NiH20C18(NO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28090429
_cell_length_b   9.64734478
_cell_length_c   10.51186365
_cell_angle_alpha   68.66425699
_cell_angle_beta   75.73165784
_cell_angle_gamma   83.37486286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH20C18(NO2)4
_chemical_formula_sum   'Ni1 H20 C18 N4 O8'
_cell_volume   483.25674895
_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  0.49999818  1.00000003  0.50000058  1
  H  H1  1  0.28506102  0.96978031  0.32436740  1
  H  H2  1  0.71493623  0.03022036  0.67563281  1
  H  H3  1  0.06950090  0.88161817  0.46701456  1
  H  H4  1  0.93049441  0.11838362  0.53298534  1
  H  H5  1  0.02828503  0.30807504  0.13462648  1
  H  H6  1  0.97172189  0.69192145  0.86537479  1
  H  H7  1  0.36295045  0.41511902  0.91723076  1
  H  H8  1  0.63705791  0.58487690  0.08277122  1
  H  H9  1  0.07670788  0.19423810  0.70837525  1
  H  H10  1  0.92328887  0.80576728  0.29162280  1
  H  H11  1  0.71616923  0.08709070  0.91404907  1
  H  H12  1  0.28382769  0.91291406  0.08594926  1
  H  H13  1  0.52483774  0.26032408  0.65156946  1
  H  H14  1  0.47516347  0.73967554  0.34843111  1
  H  H15  1  0.60973759  0.38799297  0.72077289  1
  H  H16  1  0.39026283  0.61200951  0.27922475  1
  H  H17  1  0.32341949  0.58420990  0.59149420  1
  H  H18  1  0.67657827  0.41578933  0.40850173  1
  H  H19  1  0.21226556  0.45606298  0.53404082  1
  H  H20  1  0.78773580  0.54393300  0.46595750  1
  C  C21  1  0.73651036  0.70153441  0.65098178  1
  C  C22  1  0.26348399  0.29846485  0.34902136  1
  C  C23  1  0.65098731  0.10671487  0.17822070  1
  C  C24  1  0.34901105  0.89328733  0.82177923  1
  C  C25  1  0.84276519  0.18572855  0.04493415  1
  C  C26  1  0.15723505  0.81427296  0.95506566  1
  C  C27  1  0.02449549  0.28221341  0.04255614  1
  C  C28  1  0.97550891  0.71778543  0.95744443  1
  C  C29  1  0.21551318  0.34135162  0.92359988  1
  C  C30  1  0.78449176  0.65864689  0.07640079  1
  C  C31  1  0.05101928  0.21745387  0.80492775  1
  C  C32  1  0.94897875  0.78254983  0.19507111  1
  C  C33  1  0.85317720  0.15922528  0.92097380  1
  C  C34  1  0.14682108  0.84077810  0.07902523  1
  C  C35  1  0.45448823  0.35594725  0.68507315  1
  C  C36  1  0.54551273  0.64405334  0.31492590  1
  C  C37  1  0.38196823  0.48449391  0.56219714  1
  C  C38  1  0.61803181  0.51550428  0.43780056  1
  N  N39  1  0.74600037  0.80435543  0.54194644  1
  N  N40  1  0.25399461  0.19564285  0.45805649  1
  N  N41  1  0.23391467  0.30467558  0.80803116  1
  N  N42  1  0.76608684  0.69532565  0.19196817  1
  O  O43  1  0.71808350  0.08862103  0.29221418  1
  O  O44  1  0.28191111  0.91138361  0.70778605  1
  O  O45  1  0.44428189  0.06277661  0.16626733  1
  O  O46  1  0.55571917  0.93722310  0.83373205  1
  O  O47  1  0.25800436  0.90432694  0.42626863  1
  O  O48  1  0.74199132  0.09567415  0.57373155  1
  O  O49  1  0.73464840  0.59622155  0.75756749  1
  O  O50  1  0.26534711  0.40377571  0.24243479  1
