data_CaTiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   149.84
_cell_angle_beta   149.84
_cell_angle_gamma   43.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTiAg
_chemical_formula_sum   'Ca1 Ti1 Ag1'
_cell_volume   70.14
_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
  Ca  Ca1  1  0.0  0.0  1.0  1.0
  Ti  Ti2  1  0.0  0.0  0.39  1.0
  Ag  Ag0  1  0.0  0.0  0.9  1.0

data_CaTiAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   111.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaTiAg
_chemical_formula_sum   'Ca2 Ti2 Ag2'
_cell_volume   140.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  Ti  Ti1  2  0.0  0.0  0.61  1.0
  Ag  Ag2  2  0.0  0.0  0.1  1.0

Ca Ti Ag
CaTiAg crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaTiAg clusters. Ca(1) is bonded in a single-bond geometry to one Ti(1) and one Ag(1) atom. The Ca(1)-Ti(1) bond length is 2.55 Å. The Ca(1)-Ag(1) bond length is 0.62 Å. Ti(1) is bonded in a distorted single-bond geometry to one Ca(1) atom. Ag(1) is bonded in a single-bond geometry to one Ca(1) atom.