# generated using pymatgen
data_FeH8C10(SN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54164407
_cell_length_b   7.54045318
_cell_length_c   11.36049124
_cell_angle_alpha   73.35965927
_cell_angle_beta   73.36180313
_cell_angle_gamma   84.77971101
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH8C10(SN)2
_chemical_formula_sum   'Fe2 H16 C20 S4 N4'
_cell_volume   593.04207142
_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
  Fe  Fe0  1  0.60694736  0.39312634  0.24998192  1
  Fe  Fe1  1  0.39312827  0.60688763  0.75000040  1
  H  H2  1  0.32376583  0.52158252  0.13148931  1
  H  H3  1  0.47837673  0.67630685  0.36841955  1
  H  H4  1  0.67622156  0.47833055  0.86850471  1
  H  H5  1  0.52161686  0.32372591  0.63156270  1
  H  H6  1  0.98729274  0.47676990  0.18043953  1
  H  H7  1  0.52322420  0.01284052  0.31948197  1
  H  H8  1  0.01271173  0.52319521  0.81961046  1
  H  H9  1  0.47671865  0.98717715  0.68045990  1
  H  H10  1  0.99119121  0.15527132  0.56347696  1
  H  H11  1  0.84479842  0.00886613  0.93647478  1
  H  H12  1  0.00878722  0.84475887  0.43655987  1
  H  H13  1  0.15523967  0.99112080  0.06350045  1
  H  H14  1  0.32854392  0.20279667  0.50142315  1
  H  H15  1  0.79722062  0.67146686  0.99854321  1
  H  H16  1  0.67143553  0.79719821  0.49859768  1
  H  H17  1  0.20284404  0.32852601  0.00144095  1
  C  C18  1  0.24784921  0.43916759  0.22531181  1
  C  C19  1  0.56081783  0.75224806  0.27461097  1
  C  C20  1  0.75217171  0.56076729  0.77469857  1
  C  C21  1  0.43919291  0.24775750  0.72536444  1
  C  C22  1  0.05870989  0.41459475  0.25311104  1
  C  C23  1  0.58542483  0.94140765  0.24681997  1
  C  C24  1  0.94129219  0.58537945  0.74693522  1
  C  C25  1  0.41455934  0.05860300  0.75313777  1
  C  C26  1  0.96179789  0.30913134  0.37477250  1
  C  C27  1  0.69093817  0.03829342  0.12516392  1
  C  C28  1  0.03816458  0.69090869  0.62527238  1
  C  C29  1  0.30903592  0.96171762  0.87479927  1
  C  C30  1  0.05905941  0.23385116  0.46676203  1
  C  C31  1  0.76623069  0.94099703  0.03319055  1
  C  C32  1  0.94091569  0.76617593  0.53327655  1
  C  C33  1  0.23380625  0.05899063  0.96678535  1
  C  C34  1  0.24861759  0.26160677  0.43290565  1
  C  C35  1  0.73844267  0.75141820  0.06704750  1
  C  C36  1  0.75136383  0.73838663  0.56711712  1
  C  C37  1  0.26161396  0.24857607  0.93293348  1
  S  S38  1  0.72737236  0.27659973  0.40330040  1
  S  S39  1  0.72354526  0.27273387  0.09665923  1
  S  S40  1  0.27257812  0.72352532  0.59673672  1
  S  S41  1  0.27641765  0.72726264  0.90332979  1
  N  N42  1  0.34195652  0.36262056  0.31340515  1
  N  N43  1  0.63735317  0.65811668  0.18652619  1
  N  N44  1  0.65806791  0.63732566  0.68660680  1
  N  N45  1  0.36265202  0.34188624  0.81344403  1
