data_AgIrSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgIrSe2
_chemical_formula_sum   'Ag1 Ir1 Se2'
_cell_volume   70.24
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.13  0.0  0.0  1.0
  Se  Se2  1  0.56  0.22  0.58  1.0
  Se  Se3  1  0.56  0.78  0.58  1.0

data_AgIrSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   97.4
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgIrSe2
_chemical_formula_sum   'Ag1 Ir1 Se2'
_cell_volume   70.24
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.13  0.0  1.0
  Se  Se2  1  0.58  0.56  0.22  1.0
  Se  Se3  1  0.58  0.56  0.78  1.0

Ag Ir Se Se
IrAgSe2 crystallizes in the triclinic P1 space group. Ir(1) is bonded in a single-bond geometry to one Ag(1), two equivalent Se(1), and two equivalent Se(2) atoms. The Ir(1)-Ag(1) bond length is 0.61 Å. There is one shorter (2.56 Å) and one longer (2.84 Å) Ir(1)-Se(1) bond length. There is one shorter (2.77 Å) and one longer (3.03 Å) Ir(1)-Se(2) bond length. Ag(1) is bonded in a distorted single-bond geometry to one Ir(1), two equivalent Se(1), and two equivalent Se(2) atoms. There is one shorter (2.77 Å) and one longer (3.03 Å) Ag(1)-Se(1) bond length. There is one shorter (2.56 Å) and one longer (2.84 Å) Ag(1)-Se(2) bond length. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to two equivalent Ir(1), two equivalent Ag(1), and two equivalent Se(2) atoms. There is one shorter (2.08 Å) and one longer (2.66 Å) Se(1)-Se(2) bond length. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to two equivalent Ir(1), two equivalent Ag(1), and two equivalent Se(1) atoms.