data_TiV2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   8.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiV2Ag
_chemical_formula_sum   'Ti1 V2 Ag1'
_cell_volume   61.08
_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  Ti1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.63  0.0  0.11  1.0
  V  V3  1  0.63  0.0  0.73  1.0
  Ag  Ag0  1  0.0  0.0  0.42  1.0

data_TiV2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   8.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiV2Ag
_chemical_formula_sum   'Ti1 V2 Ag1'
_cell_volume   61.08
_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
  V  V1  1  0.63  0.0  0.11  1.0
  V  V2  1  0.63  0.0  0.73  1.0
  Ag  Ag3  1  0.0  0.0  0.42  1.0

Ti V V Ag
TiV2Ag crystallizes in the triclinic P1 space group. Ti(1) is bonded in a 2-coordinate geometry to two equivalent V(1) and two equivalent V(2) atoms. There is one shorter (1.37 Å) and one longer (1.93 Å) Ti(1)-V(1) bond length. There is one shorter (2.56 Å) and one longer (2.90 Å) Ti(1)-V(2) bond length. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 2-coordinate geometry to two equivalent Ti(1) and two equivalent Ag(1) atoms. There is one shorter (2.94 Å) and one longer (3.24 Å) V(1)-Ag(1) bond length. In the second V site, V(2) is bonded in a 8-coordinate geometry to two equivalent Ti(1), four equivalent V(2), and two equivalent Ag(1) atoms. All V(2)-V(2) bond lengths are 2.67 Å. There is one shorter (2.94 Å) and one longer (3.24 Å) V(2)-Ag(1) bond length. Ag(1) is bonded in a 8-coordinate geometry to two equivalent V(1), two equivalent V(2), and four equivalent Ag(1) atoms. All Ag(1)-Ag(1) bond lengths are 2.67 Å.