# generated using pymatgen
data_NiH4C4(N4O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45831874
_cell_length_b   6.51648675
_cell_length_c   9.91859295
_cell_angle_alpha   89.99991795
_cell_angle_beta   90.00048158
_cell_angle_gamma   101.17720288
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH4C4(N4O)2
_chemical_formula_sum   'Ni2 H8 C8 N16 O4'
_cell_volume   409.51177328
_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  0.99999386  0.99999543  0.50000033  1
  Ni  Ni1  1  0.00000634  0.50000450  0.99999882  1
  H  H2  1  0.75326556  0.50881523  0.68465012  1
  H  H3  1  0.24674255  0.99118679  0.18464821  1
  H  H4  1  0.24671471  0.49117209  0.31536051  1
  H  H5  1  0.75327281  0.00882723  0.81535320  1
  H  H6  1  0.42976149  0.82993612  0.40958553  1
  H  H7  1  0.57023053  0.67006499  0.90957852  1
  H  H8  1  0.57022149  0.17005493  0.59042309  1
  H  H9  1  0.42978278  0.32994623  0.09042040  1
  C  C10  1  0.64172610  0.50327731  0.60249309  1
  C  C11  1  0.35827862  0.99672667  0.10249025  1
  C  C12  1  0.35825709  0.49671434  0.39751635  1
  C  C13  1  0.64173454  0.00328537  0.89750979  1
  C  C14  1  0.46174692  0.68305035  0.44770610  1
  C  C15  1  0.53824627  0.81695033  0.94770051  1
  C  C16  1  0.53823611  0.31694083  0.55230266  1
  C  C17  1  0.46176675  0.18306151  0.05229838  1
  N  N18  1  0.98092145  0.74517362  0.36540876  1
  N  N19  1  0.01907285  0.75482316  0.86540624  1
  N  N20  1  0.01905960  0.25481762  0.63459151  1
  N  N21  1  0.98094369  0.24517918  0.13459099  1
  N  N22  1  0.90038769  0.69838619  0.25970590  1
  N  N23  1  0.09960812  0.80161250  0.75971183  1
  N  N24  1  0.09960284  0.30161081  0.74028469  1
  N  N25  1  0.90040028  0.19838657  0.24028246  1
  N  N26  1  0.60586586  0.68825926  0.54978626  1
  N  N27  1  0.39413389  0.81174244  0.04978317  1
  N  N28  1  0.39412032  0.31173217  0.45022102  1
  N  N29  1  0.60587722  0.18826913  0.95021522  1
  N  N30  1  0.83322010  0.64687072  0.15110109  1
  N  N31  1  0.16678792  0.85313044  0.65110348  1
  N  N32  1  0.16679071  0.35312891  0.84889141  1
  N  N33  1  0.83320769  0.14686762  0.34888817  1
  O  O34  1  0.70907907  0.86871070  0.59667476  1
  O  O35  1  0.29092358  0.63129141  0.09667325  1
  O  O36  1  0.29091010  0.13128323  0.40332627  1
  O  O37  1  0.70908876  0.36871980  0.90332239  1
