data_SbIrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   6.62
_cell_angle_alpha   151.77
_cell_angle_beta   151.77
_cell_angle_gamma   40.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbIrSe
_chemical_formula_sum   'Sb1 Ir1 Se1'
_cell_volume   64.75
_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
  Sb  Sb1  1  0.0  0.0  0.59  1.0
  Ir  Ir0  1  0.0  0.0  0.13  1.0
  Se  Se2  1  0.0  0.0  0.7  1.0

data_SbIrSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   6.62
_cell_angle_alpha   90.0
_cell_angle_beta   110.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SbIrSe
_chemical_formula_sum   'Sb2 Ir2 Se2'
_cell_volume   129.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sb  Sb0  2  0.0  0.0  0.41  1.0
  Ir  Ir1  2  0.0  0.0  0.87  1.0
  Se  Se2  2  0.0  0.0  0.3  1.0

Sb Ir Se
Sb Ir Se 0 2 o o o 0 1 o o + 0 1 o o o 1 2 o + o 1 2 + o o 1 2 o o - 1 1 + o + 1 1 o + + 
IrSbSe crystallizes in the monoclinic Cm space group. Ir(1) is bonded in a 6-coordinate geometry to four equivalent Ir(1), one Sb(1), and one Se(1) atom. All Ir(1)-Ir(1) bond lengths are 3.23 Å. The Ir(1)-Sb(1) bond length is 3.05 Å. The Ir(1)-Se(1) bond length is 2.85 Å. Sb(1) is bonded in a single-bond geometry to one Ir(1) and one Se(1) atom. The Sb(1)-Se(1) bond length is 0.72 Å. Se(1) is bonded in a single-bond geometry to one Ir(1) and one Sb(1) atom.