# generated using pymatgen
data_Ir2RuS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66351499
_cell_length_b   5.65032443
_cell_length_c   5.64686719
_cell_angle_alpha   89.67081578
_cell_angle_beta   89.74833646
_cell_angle_gamma   89.60685010
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2RuS8
_chemical_formula_sum   'Ir2 Ru1 S8'
_cell_volume   180.69473807
_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
  Ir  Ir0  1  0.50000000  0.00000000  0.50000000  1.0
  Ir  Ir1  1  0.50000000  0.50000000  0.00000000  1.0
  Ru  Ru2  1  0.00000000  0.50000000  0.50000000  1.0
  S  S3  1  0.39258387  0.89247351  0.10755560  1.0
  S  S4  1  0.10583789  0.39350798  0.89089618  1.0
  S  S5  1  0.89308230  0.11005347  0.39497144  1.0
  S  S6  1  0.60741613  0.10752649  0.89244440  1.0
  S  S7  1  0.89416211  0.60649202  0.10910382  1.0
  S  S8  1  0.10691770  0.88994653  0.60502856  1.0
  S  S9  1  0.61756741  0.61111242  0.61132659  1.0
  S  S10  1  0.38243259  0.38888758  0.38867341  1.0