data_TiAg2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAg2As
_chemical_formula_sum   'Ti1 Ag2 As1'
_cell_volume   72.46
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.96  0.0  0.12  1.0
  Ag  Ag1  1  0.96  0.0  0.8  1.0
  As  As2  1  0.0  0.0  0.46  1.0

data_TiAg2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAg2As
_chemical_formula_sum   'Ti1 Ag2 As1'
_cell_volume   72.46
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.96  0.0  0.12  1.0
  Ag  Ag2  1  0.96  0.0  0.8  1.0
  As  As3  1  0.0  0.0  0.46  1.0

Ti Ag Ag As
TiAg2As crystallizes in the triclinic P1 space group. Ti(1) is bonded in a distorted linear geometry to one Ag(1) and one Ag(2) atom. The Ti(1)-Ag(1) bond length is 1.05 Å. The Ti(1)-Ag(2) bond length is 1.82 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a single-bond geometry to one Ti(1) and one As(1) atom. The Ag(1)-As(1) bond length is 3.03 Å. In the second Ag site, Ag(2) is bonded in a distorted single-bond geometry to one Ti(1) and one As(1) atom. The Ag(2)-As(1) bond length is 3.03 Å. As(1) is bonded to one Ag(1), one Ag(2), and four equivalent As(1) atoms to form a mixture of edge and corner-sharing AsAg2As4 octahedra. The corner-sharing octahedra are not tilted. All As(1)-As(1) bond lengths are 2.85 Å.