# generated using pymatgen
data_NiH8C10(SN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54276906
_cell_length_b   7.54155821
_cell_length_c   11.35808195
_cell_angle_alpha   73.35354317
_cell_angle_beta   73.35573081
_cell_angle_gamma   84.76842922
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH8C10(SN)2
_chemical_formula_sum   'Ni2 H16 C20 S4 N4'
_cell_volume   593.05305570
_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  0.61444151  0.38558224  0.25000937  1
  Ni  Ni1  1  0.38561291  0.61435227  0.75001606  1
  H  H2  1  0.32039741  0.51982109  0.13289841  1
  H  H3  1  0.48014120  0.67968577  0.36699933  1
  H  H4  1  0.67961457  0.48008710  0.86710187  1
  H  H5  1  0.51986664  0.32033040  0.63296876  1
  H  H6  1  0.98517467  0.47598424  0.18097736  1
  H  H7  1  0.52400375  0.01490874  0.31896028  1
  H  H8  1  0.01480328  0.52398509  0.81907074  1
  H  H9  1  0.47592625  0.98508383  0.68100019  1
  H  H10  1  0.99095320  0.15358949  0.56455539  1
  H  H11  1  0.84649413  0.00910373  0.93539267  1
  H  H12  1  0.00903074  0.84644863  0.43547542  1
  H  H13  1  0.15354584  0.99088745  0.06458661  1
  H  H14  1  0.32743014  0.20287152  0.50090206  1
  H  H15  1  0.79713607  0.67253345  0.99907429  1
  H  H16  1  0.67257880  0.79712998  0.49910791  1
  H  H17  1  0.20293606  0.32746503  0.00090494  1
  C  C18  1  0.24482117  0.43707849  0.22695426  1
  C  C19  1  0.56292256  0.75527997  0.27296208  1
  C  C20  1  0.75519699  0.56286776  0.77305748  1
  C  C21  1  0.43709070  0.24472503  0.72700616  1
  C  C22  1  0.05583603  0.41342199  0.25411562  1
  C  C23  1  0.58661146  0.94430570  0.24579018  1
  C  C24  1  0.94418758  0.58657181  0.74590430  1
  C  C25  1  0.41337020  0.05570548  0.75416974  1
  C  C26  1  0.95901178  0.30775821  0.37624557  1
  C  C27  1  0.69230758  0.04110295  0.12367438  1
  C  C28  1  0.04096928  0.69228500  0.62378868  1
  C  C29  1  0.30766129  0.95890964  0.87628198  1
  C  C30  1  0.05776463  0.23281854  0.46774192  1
  C  C31  1  0.76725126  0.94229742  0.03220187  1
  C  C32  1  0.94222226  0.76720798  0.53228445  1
  C  C33  1  0.23278035  0.05769748  0.96777717  1
  C  C34  1  0.24726413  0.26140373  0.43251886  1
  C  C35  1  0.73864862  0.75276078  0.06742924  1
  C  C36  1  0.75272867  0.73859927  0.56749819  1
  C  C37  1  0.26139993  0.24722229  0.93255639  1
  S  S38  1  0.72712376  0.27230263  0.40811373  1
  S  S39  1  0.72785910  0.27304020  0.09182619  1
  S  S40  1  0.27280710  0.72783347  0.59197729  1
  S  S41  1  0.27208633  0.72698835  0.90812688  1
  N  N42  1  0.34078619  0.35995190  0.31336637  1
  N  N43  1  0.64004369  0.65927626  0.18657278  1
  N  N44  1  0.65922650  0.64001970  0.68664903  1
  N  N45  1  0.35994580  0.34071484  0.81339950  1
