data_IrOsSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrOsSe4
_chemical_formula_sum   'Ir1 Os1 Se4'
_cell_volume   110.89
_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  0.72  0.72  0.72  1.0
  Os  Os1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.76  0.76  0.86  1.0
  Se  Se3  1  0.76  0.86  0.76  1.0
  Se  Se4  1  0.86  0.76  0.76  1.0
  Se  Se5  1  0.86  0.86  0.86  1.0

data_IrOsSe4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   13.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   IrOsSe4
_chemical_formula_sum   'Ir3 Os3 Se12'
_cell_volume   332.68
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Os  Os0  3  0.0  0.0  0.0  1.0
  Ir  Ir1  3  0.0  0.0  0.28  1.0
  Se  Se2  9  0.03  0.07  0.2  1.0
  Se  Se3  3  0.0  0.0  0.14  1.0

Ir Os Se Se Se Se
OsSeIrSe3 is Zincblende, Sphalerite structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three selanylideneosmium molecules and three IrSe3 clusters. In each IrSe3 cluster, Ir(1) is bonded in a 3-coordinate geometry to three equivalent Se(1) atoms. All Ir(1)-Se(1) bond lengths are 1.06 Å. Se(1) is bonded in a 2-coordinate geometry to one Ir(1) and two equivalent Se(1) atoms. Both Se(1)-Se(1) bond lengths are 0.53 Å.