# generated using pymatgen
data_FeH8C10(SN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21703990
_cell_length_b   6.78535924
_cell_length_c   7.38518494
_cell_angle_alpha   91.08280517
_cell_angle_beta   110.13035431
_cell_angle_gamma   111.09336018
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH8C10(SN3)2
_chemical_formula_sum   'Fe1 H8 C10 S2 N6'
_cell_volume   312.57407307
_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
  Fe  Fe0  1  0.00012140  0.00003757  0.00454594  1
  H  H1  1  0.72682918  0.56820446  0.73806130  1
  H  H2  1  0.33569499  0.19582204  0.46149838  1
  H  H3  1  0.27339047  0.43198727  0.26206721  1
  H  H4  1  0.66393140  0.80375862  0.53662894  1
  H  H5  1  0.26603517  0.79036709  0.26343696  1
  H  H6  1  0.68085280  0.79151758  0.21712734  1
  H  H7  1  0.73414439  0.20968350  0.73666102  1
  H  H8  1  0.31796493  0.20752221  0.78111170  1
  C  C9  1  0.48628185  0.22568094  0.20621945  1
  C  C10  1  0.51493043  0.77489084  0.79544278  1
  C  C11  1  0.84877684  0.53919109  0.85654365  1
  C  C12  1  0.18181496  0.10817172  0.47279452  1
  C  C13  1  0.15133761  0.46087541  0.14363930  1
  C  C14  1  0.81763231  0.89161875  0.52497253  1
  C  C15  1  0.14798565  0.66321110  0.14318277  1
  C  C16  1  0.82585971  0.88910049  0.33973915  1
  C  C17  1  0.85215300  0.33680074  0.85701190  1
  C  C18  1  0.17325290  0.11043702  0.65782495  1
  S  S19  1  0.72198572  0.37435420  0.35382349  1
  S  S20  1  0.27965939  0.62690628  0.64646908  1
  N  N21  1  0.99776860  0.70468013  0.99910971  1
  N  N22  1  0.00707102  0.99971070  0.30996036  1
  N  N23  1  0.00189479  0.29515778  0.00150015  1
  N  N24  1  0.99200740  0.00021685  0.68713796  1
  N  N25  1  0.30497316  0.11715236  0.10343647  1
  N  N26  1  0.69564065  0.88294731  0.90003522  1
