# generated using pymatgen
data_Ir2RuSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.00837336
_cell_length_b   5.98797788
_cell_length_c   5.98383279
_cell_angle_alpha   89.88943985
_cell_angle_beta   89.97833006
_cell_angle_gamma   89.88561861
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2RuSe8
_chemical_formula_sum   'Ir2 Ru1 Se8'
_cell_volume   215.28553204
_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  0.50000000  0.00000000  1.0
  Ir  Ir1  1  0.50000100  0.00000000  0.50000000  1.0
  Ru  Ru2  1  0.00000000  0.50000100  0.50000000  1.0
  Se  Se3  1  0.38244378  0.88309377  0.11568667  1.0
  Se  Se4  1  0.88591167  0.61644375  0.11834493  1.0
  Se  Se5  1  0.37482950  0.38047740  0.38032688  1.0
  Se  Se6  1  0.88352048  0.11837871  0.38528854  1.0
  Se  Se7  1  0.11647952  0.88162129  0.61471146  1.0
  Se  Se8  1  0.62517050  0.61952260  0.61967312  1.0
  Se  Se9  1  0.11408833  0.38355625  0.88165507  1.0
  Se  Se10  1  0.61755622  0.11690623  0.88431333  1.0