# generated using pymatgen
data_MnH8C10(SN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26771820
_cell_length_b   6.87912037
_cell_length_c   7.42539083
_cell_angle_alpha   91.10267976
_cell_angle_beta   110.07017121
_cell_angle_gamma   111.21249875
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnH8C10(SN3)2
_chemical_formula_sum   'Mn1 H8 C10 S2 N6'
_cell_volume   320.67694506
_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
  Mn  Mn0  1  -0.00043777  -0.00008040  0.00163707  1
  H  H1  1  0.73015809  0.56788759  0.73947581  1
  H  H2  1  0.33267824  0.19601080  0.46081293  1
  H  H3  1  0.27021565  0.43231675  0.26079670  1
  H  H4  1  0.66754284  0.80379672  0.53818653  1
  H  H5  1  0.26414959  0.78534462  0.26310295  1
  H  H6  1  0.68508526  0.79165839  0.21888966  1
  H  H7  1  0.73613319  0.21486545  0.73725956  1
  H  H8  1  0.31518192  0.20810842  0.78010333  1
  C  C9  1  0.48501054  0.22849870  0.20989081  1
  C  C10  1  0.51453563  0.77149462  0.79045276  1
  C  C11  1  0.85092847  0.53962412  0.85770599  1
  C  C12  1  0.18095021  0.10802065  0.47377355  1
  C  C13  1  0.14923933  0.46055428  0.14276645  1
  C  C14  1  0.81925792  0.89192135  0.52522548  1
  C  C15  1  0.14651756  0.66048494  0.14301406  1
  C  C16  1  0.82795706  0.88915918  0.34139652  1
  C  C17  1  0.85362668  0.33966047  0.85747192  1
  C  C18  1  0.17217767  0.11067995  0.65760018  1
  S  S19  1  0.71581613  0.37918953  0.36068825  1
  S  S20  1  0.28414821  0.62067877  0.63900485  1
  N  N21  1  0.99845659  0.70219447  1.00008905  1
  N  N22  1  0.00777601  0.99946400  0.31242834  1
  N  N23  1  0.00131024  0.29782796  0.00073633  1
  N  N24  1  0.99240119  0.00059231  0.68648576  1
  N  N25  1  0.30767570  0.11828078  0.10414363  1
  N  N26  1  0.69149862  0.88176958  0.89684376  1
