data_TiAg2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   5.24
_cell_angle_alpha   99.96
_cell_angle_beta   99.96
_cell_angle_gamma   32.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAg2Mo
_chemical_formula_sum   'Ti1 Ag2 Mo1'
_cell_volume   67.83
_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  0.93  0.0  0.37  1.0
  Ag  Ag0  1  0.1  0.0  0.13  1.0
  Ag  Ag1  1  0.62  0.0  0.89  1.0
  Mo  Mo2  1  0.17  0.0  0.51  1.0

data_TiAg2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.93
_cell_length_c   5.24
_cell_angle_alpha   99.96
_cell_angle_beta   90.0
_cell_angle_gamma   106.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAg2Mo
_chemical_formula_sum   'Ti1 Ag2 Mo1'
_cell_volume   67.83
_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  0.07  0.63  1.0
  Ag  Ag1  1  0.0  0.38  0.11  1.0
  Ag  Ag2  1  0.0  0.9  0.87  1.0
  Mo  Mo3  1  0.0  0.83  0.49  1.0

Ti Ag Ag Mo
Ti Ag Ag Mo 0 3 + o o 0 1 + o o 0 2 o o - 1 2 o o - 1 2 - o - 1 2 o - - 2 3 o o o 2 2 + - o 
TiMoAg2 crystallizes in the triclinic P1 space group. Ti(1) is bonded in a distorted L-shaped geometry to one Mo(1), one Ag(1), and two equivalent Ag(2) atoms. The Ti(1)-Mo(1) bond length is 1.25 Å. The Ti(1)-Ag(1) bond length is 1.61 Å. There is one shorter (2.71 Å) and one longer (3.38 Å) Ti(1)-Ag(2) bond length. Mo(1) is bonded in a single-bond geometry to one Ti(1) and one Ag(2) atom. The Mo(1)-Ag(2) bond length is 2.72 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted single-bond geometry to one Ti(1) and two equivalent Ag(2) atoms. There is one shorter (2.47 Å) and one longer (3.03 Å) Ag(1)-Ag(2) bond length. In the second Ag site, Ag(2) is bonded in a 7-coordinate geometry to two equivalent Ti(1), one Mo(1), two equivalent Ag(1), and two equivalent Ag(2) atoms. Both Ag(2)-Ag(2) bond lengths are 2.78 Å.