# generated using pymatgen
data_NiH8C10(SN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21506660
_cell_length_b   6.78323827
_cell_length_c   7.41667667
_cell_angle_alpha   91.08939819
_cell_angle_beta   110.20469751
_cell_angle_gamma   111.09610236
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH8C10(SN3)2
_chemical_formula_sum   'Ni1 H8 C10 S2 N6'
_cell_volume   313.52933073
_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  -0.00038067  -0.00015970  0.00325641  1
  H  H1  1  0.72797296  0.57062971  0.73975729  1
  H  H2  1  0.33646232  0.19566130  0.46250268  1
  H  H3  1  0.27220862  0.42954191  0.26022766  1
  H  H4  1  0.66424427  0.80462450  0.53671283  1
  H  H5  1  0.26447571  0.79191111  0.26115676  1
  H  H6  1  0.68366897  0.79291680  0.21590758  1
  H  H7  1  0.73569860  0.20813882  0.73878907  1
  H  H8  1  0.31615311  0.20677101  0.78296664  1
  C  C9  1  0.48826028  0.22630946  0.20846473  1
  C  C10  1  0.51142543  0.77361828  0.79246178  1
  C  C11  1  0.84944966  0.54002565  0.85717725  1
  C  C12  1  0.18297060  0.10819242  0.47453634  1
  C  C13  1  0.15053038  0.45997522  0.14289860  1
  C  C14  1  0.81748802  0.89198727  0.52401501  1
  C  C15  1  0.14725700  0.66298225  0.14264292  1
  C  C16  1  0.82739081  0.88923097  0.33984053  1
  C  C17  1  0.85274928  0.33700036  0.85744636  1
  C  C18  1  0.17269448  0.11070419  0.65856877  1
  S  S19  1  0.72621456  0.37656681  0.35611282  1
  S  S20  1  0.27409632  0.62369733  0.64343554  1
  N  N21  1  0.99770246  0.70367603  0.99938369  1
  N  N22  1  0.00928481  0.99922934  0.31342311  1
  N  N23  1  0.00191012  0.29616781  0.00109481  1
  N  N24  1  0.99099653  0.00089853  0.68467875  1
  N  N25  1  0.30751403  0.11837391  0.10678273  1
  N  N26  1  0.69155209  0.88133274  0.89574158  1
