# generated using pymatgen
data_NiH28(C13N5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82418325
_cell_length_b   10.35507168
_cell_length_c   10.38967314
_cell_angle_alpha   75.50586411
_cell_angle_beta   72.04362094
_cell_angle_gamma   72.73762065
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH28(C13N5)2
_chemical_formula_sum   'Ni1 H28 C26 N10'
_cell_volume   656.69567610
_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  -0.00000155  0.00000001  0.99999882  1
  H  H1  1  0.93558204  0.06442551  0.71993689  1
  H  H2  1  0.07452062  0.27839462  0.92367781  1
  H  H3  1  0.06442303  0.93557131  0.28005857  1
  H  H4  1  0.92547877  0.72160314  0.07632114  1
  H  H5  1  0.12111547  0.16269364  0.48722768  1
  H  H6  1  0.88916280  0.51110988  0.82810549  1
  H  H7  1  0.87889054  0.83730631  0.51276874  1
  H  H8  1  0.11083491  0.48888844  0.17189531  1
  H  H9  1  0.64908748  0.12775885  0.65258653  1
  H  H10  1  0.34663270  0.34583746  0.89051773  1
  H  H11  1  0.35090850  0.87224453  0.34741878  1
  H  H12  1  0.65336568  0.65416098  0.10948235  1
  H  H13  1  0.45150195  0.03071312  0.87558365  1
  H  H14  1  0.54617768  0.12286261  0.98428600  1
  H  H15  1  0.54849281  0.96929032  0.12441850  1
  H  H16  1  0.45382229  0.87713720  0.01571338  1
  H  H17  1  0.52143790  0.15642950  0.33716567  1
  H  H18  1  0.48462259  0.66013703  0.84650565  1
  H  H19  1  0.47856198  0.84357063  0.66283392  1
  H  H20  1  0.51537364  0.33986168  0.15349574  1
  H  H21  1  0.68049988  0.20968519  0.40875654  1
  H  H22  1  0.32217099  0.58619188  0.79884557  1
  H  H23  1  0.31950575  0.79031422  0.59124004  1
  H  H24  1  0.67782863  0.41380644  0.20115308  1
  H  H25  1  0.23721774  0.37566296  0.37593076  1
  H  H26  1  0.76278420  0.62433732  0.62407365  1
  H  H27  1  0.41221805  0.43440278  0.42950569  1
  H  H28  1  0.58778782  0.56559662  0.57049463  1
  C  C29  1  0.09444626  0.07863710  0.70134376  1
  C  C30  1  0.91285042  0.29752895  0.91539483  1
  C  C31  1  0.90555851  0.92136179  0.29865175  1
  C  C32  1  0.08714804  0.70247051  0.08460436  1
  C  C33  1  0.19784746  0.13649839  0.57176001  1
  C  C34  1  0.80948846  0.42651851  0.85874269  1
  C  C35  1  0.80215744  0.86350085  0.42823802  1
  C  C36  1  0.19051191  0.57348148  0.14125613  1
  C  C37  1  0.40084601  0.15506791  0.55111695  1
  C  C38  1  0.60311448  0.44655563  0.84799820  1
  C  C39  1  0.59915690  0.84493231  0.44888234  1
  C  C40  1  0.39688221  0.55344327  0.15200262  1
  C  C41  1  0.49089361  0.11566829  0.66280846  1
  C  C42  1  0.50890527  0.33521625  0.89467665  1
  C  C43  1  0.50911096  0.88433493  0.33719111  1
  C  C44  1  0.49109135  0.66478485  0.10532243  1
  C  C45  1  0.37870699  0.05853321  0.78950303  1
  C  C46  1  0.62158461  0.20910093  0.94979171  1
  C  C47  1  0.62129058  0.94146831  0.21049992  1
  C  C48  1  0.37841296  0.79089733  0.05020810  1
  C  C49  1  0.51512174  0.21774792  0.41145190  1
  C  C50  1  0.48820902  0.58533904  0.78659945  1
  C  C51  1  0.48488142  0.78225139  0.58854849  1
  C  C52  1  0.51178904  0.41466080  0.21340077  1
  C  C53  1  0.40625837  0.36707695  0.36420143  1
  C  C54  1  0.59374314  0.63292348  0.63580015  1
  N  N55  1  0.80706940  0.91088864  0.91226362  1
  N  N56  1  0.19293211  0.08911328  0.08773671  1
  N  N57  1  0.87375676  0.83099861  0.83424281  1
  N  N58  1  0.12623915  0.16900418  0.16575931  1
  N  N59  1  0.93935946  0.75273537  0.75687216  1
  N  N60  1  0.06063298  0.24726563  0.24312937  1
  N  N61  1  0.18393018  0.03909353  0.80910277  1
  N  N62  1  0.82055373  0.18970123  0.96087367  1
  N  N63  1  0.81606896  0.96090629  0.19089653  1
  N  N64  1  0.17944546  0.81029838  0.03912519  1
