data_Zr2AgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.44
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AgIr
_chemical_formula_sum   'Zr2 Ag1 Ir1'
_cell_volume   77.3
_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
  Zr  Zr2  1  0.55  0.72  0.3  1.0
  Zr  Zr3  1  0.55  0.72  0.94  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.62  1.0

data_Zr2AgIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.44
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AgIr
_chemical_formula_sum   'Zr2 Ag1 Ir1'
_cell_volume   77.3
_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
  Zr  Zr0  1  0.55  0.72  0.3  1.0
  Zr  Zr1  1  0.55  0.72  0.94  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.62  1.0

Zr Zr Ag Ir
Zr Zr Ag Ir 0 2 o + o 0 2 + + o 0 3 o + o 0 3 + + o 0 0 + o o 0 1 o o - 1 2 o + + 1 2 + + + 1 3 + + o 1 3 o + o 2 3 o o - 3 3 + o o 3 3 o + o 
Zr2IrAg crystallizes in the triclinic P1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 13-coordinate geometry to one Zr(2), four equivalent Zr(1), four equivalent Ir(1), and four equivalent Ag(1) atoms. The Zr(1)-Zr(2) bond length is 2.61 Å. There are two shorter (3.10 Å) and two longer (3.44 Å) Zr(1)-Zr(1) bond lengths. There are a spread of Zr(1)-Ir(1) bond distances ranging from 2.87-3.79 Å. There are a spread of Zr(1)-Ag(1) bond distances ranging from 2.77-3.72 Å. In the second Zr site, Zr(2) is bonded in a distorted water-like geometry to one Zr(1), two equivalent Ir(1), and two equivalent Ag(1) atoms. There is one shorter (2.87 Å) and one longer (3.04 Å) Zr(2)-Ir(1) bond length. There is one shorter (1.74 Å) and one longer (2.01 Å) Zr(2)-Ag(1) bond length. Ir(1) is bonded in a 5-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), and one Ag(1) atom. The Ir(1)-Ag(1) bond length is 2.73 Å. Ag(1) is bonded in a distorted water-like geometry to two equivalent Zr(2), four equivalent Zr(1), and one Ir(1) atom.