data_Ti2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.0
_cell_length_b   9.0
_cell_length_c   9.0
_cell_angle_alpha   157.35
_cell_angle_beta   157.35
_cell_angle_gamma   32.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Ag
_chemical_formula_sum   'Ti4 Ag2'
_cell_volume   108.07
_cell_formula_units_Z   2
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  Ti2  1  0.77  0.0  0.09  1.0
  Ti  Ti3  1  0.77  0.0  0.55  1.0
  Ti  Ti4  1  0.0  0.0  0.42  1.0
  Ti  Ti5  1  0.0  0.0  0.88  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.77  0.32  1.0

data_Ti2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   9.0
_cell_angle_alpha   101.33
_cell_angle_beta   101.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Ag
_chemical_formula_sum   'Ti4 Ag2'
_cell_volume   108.07
_cell_formula_units_Z   2
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  0.12  0.0  0.12  1.0
  Ti  Ti1  1  0.45  0.0  0.21  1.0
  Ti  Ti2  1  0.58  0.0  0.58  1.0
  Ti  Ti3  1  0.91  0.0  0.67  1.0
  Ag  Ag4  1  0.0  0.0  0.0  1.0
  Ag  Ag5  1  0.44  0.77  0.44  1.0

Ti Ti Ti Ti Ag Ag