# generated using pymatgen
data_MnH8C10(SN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54733020
_cell_length_b   7.54612062
_cell_length_c   11.36553453
_cell_angle_alpha   73.35472894
_cell_angle_beta   73.35687552
_cell_angle_gamma   84.76331398
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnH8C10(SN)2
_chemical_formula_sum   'Mn2 H16 C20 S4 N4'
_cell_volume   594.16685210
_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
  Mn  Mn0  1  0.61206834  0.38791579  0.24999694  1
  Mn  Mn1  1  0.38795233  0.61199788  0.75001327  1
  H  H2  1  0.31970670  0.51927960  0.13304610  1
  H  H3  1  0.48065760  0.68039090  0.36686145  1
  H  H4  1  0.68029987  0.48062011  0.86694696  1
  H  H5  1  0.51935426  0.31962803  0.63310793  1
  H  H6  1  0.98491341  0.47631625  0.18140308  1
  H  H7  1  0.52371354  0.01521191  0.31850835  1
  H  H8  1  0.01504834  0.52368711  0.81863500  1
  H  H9  1  0.47623186  0.98483653  0.68143809  1
  H  H10  1  0.99050899  0.15204337  0.56498747  1
  H  H11  1  0.84807429  0.00956068  0.93496576  1
  H  H12  1  0.00947856  0.84800803  0.43504878  1
  H  H13  1  0.15198109  0.99043914  0.06500986  1
  H  H14  1  0.32789900  0.20221649  0.50172302  1
  H  H15  1  0.79781390  0.67212353  0.99823800  1
  H  H16  1  0.67210365  0.79777490  0.49829899  1
  H  H17  1  0.20225313  0.32785865  0.00176397  1
  C  C18  1  0.24326414  0.43701000  0.22710091  1
  C  C19  1  0.56298560  0.75682129  0.27282394  1
  C  C20  1  0.75672942  0.56295791  0.77290992  1
  C  C21  1  0.43700159  0.24319937  0.72714294  1
  C  C22  1  0.05391168  0.41276574  0.25520794  1
  C  C23  1  0.58723877  0.94621048  0.24469599  1
  C  C24  1  0.94608554  0.58722018  0.74480345  1
  C  C25  1  0.41272528  0.05381405  0.75526236  1
  C  C26  1  0.95937697  0.30723179  0.37726780  1
  C  C27  1  0.69280826  0.04073374  0.12264452  1
  C  C28  1  0.04061217  0.69277754  0.62276092  1
  C  C29  1  0.30718536  0.95928572  0.87730852  1
  C  C30  1  0.05780278  0.23214568  0.46864474  1
  C  C31  1  0.76787824  0.94226897  0.03128260  1
  C  C32  1  0.94219136  0.76785515  0.53137820  1
  C  C33  1  0.23213603  0.05772260  0.96868663  1
  C  C34  1  0.24663890  0.26051214  0.43416534  1
  C  C35  1  0.73949704  0.75339749  0.06578995  1
  C  C36  1  0.75335081  0.73947845  0.56586378  1
  C  C37  1  0.26051741  0.24659095  0.93420072  1
  S  S38  1  0.72510905  0.26208195  0.42065870  1
  S  S39  1  0.73813588  0.27498841  0.07931045  1
  S  S40  1  0.27487391  0.73804249  0.57948019  1
  S  S41  1  0.26189398  0.72499813  0.92058270  1
  N  N42  1  0.33817437  0.36095413  0.31465408  1
  N  N43  1  0.63909067  0.66186238  0.18531416  1
  N  N44  1  0.66179783  0.63903124  0.68537978  1
  N  N45  1  0.36094022  0.33813003  0.81467770  1
