data_Zr2AgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AgAs
_chemical_formula_sum   'Zr2 Ag1 As1'
_cell_volume   80.05
_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  0.03  0.0  0.8  1.0
  Zr  Zr3  1  0.03  0.0  0.07  1.0
  Ag  Ag0  1  0.0  0.0  0.94  1.0
  As  As1  1  0.0  0.0  0.0  1.0

data_Zr2AgAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AgAs
_chemical_formula_sum   'Zr2 Ag1 As1'
_cell_volume   80.05
_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  0.03  0.0  0.07  1.0
  Zr  Zr1  1  0.03  0.0  0.8  1.0
  Ag  Ag2  1  0.0  0.0  0.94  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Zr Zr Ag As
Zr2AgAs is Cyanogen Chloride-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Zr2AgAs cluster. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a single-bond geometry to one Ag(1) atom. The Zr(1)-Ag(1) bond length is 1.05 Å. In the second Zr site, Zr(2) is bonded in a single-bond geometry to one As(1) atom. The Zr(2)-As(1) bond length is 0.55 Å. Ag(1) is bonded in a linear geometry to one Zr(1) and one As(1) atom. The Ag(1)-As(1) bond length is 0.50 Å. As(1) is bonded in a linear geometry to one Zr(2) and one Ag(1) atom.