data_Bi2IrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.46
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   107.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2IrSe
_chemical_formula_sum   'Bi2 Ir1 Se1'
_cell_volume   94.98
_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
  Bi  Bi0  1  0.64  0.23  0.72  1.0
  Bi  Bi1  1  0.61  0.0  0.51  1.0
  Ir  Ir2  1  0.24  0.23  0.54  1.0
  Se  Se3  1  0.27  0.0  0.49  1.0

data_Bi2IrSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.46
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   107.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2IrSe
_chemical_formula_sum   'Bi2 Ir1 Se1'
_cell_volume   94.98
_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
  Bi  Bi0  1  0.61  0.0  0.51  1.0
  Bi  Bi1  1  0.64  0.23  0.72  1.0
  Ir  Ir2  1  0.24  0.23  0.54  1.0
  Se  Se3  1  0.27  0.0  0.49  1.0

Bi Bi Ir Se
IrBi2Se is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one IrBi2Se cluster. Ir(1) is bonded in a distorted single-bond geometry to one Bi(1) and one Se(1) atom. The Ir(1)-Bi(1) bond length is 1.71 Å. The Ir(1)-Se(1) bond length is 1.08 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 2-coordinate geometry to one Ir(1) and one Bi(2) atom. The Bi(1)-Bi(2) bond length is 1.46 Å. In the second Bi site, Bi(2) is bonded in a distorted single-bond geometry to one Bi(1) and one Se(1) atom. The Bi(2)-Se(1) bond length is 1.45 Å. Se(1) is bonded in a distorted water-like geometry to one Ir(1) and one Bi(2) atom.