data_Ti2SiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.99
_cell_angle_alpha   102.23
_cell_angle_beta   102.23
_cell_angle_gamma   33.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SiAg
_chemical_formula_sum   'Ti2 Si1 Ag1'
_cell_volume   65.18
_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  Ti2  1  0.62  0.0  0.77  1.0
  Ti  Ti3  1  0.74  0.0  0.09  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.18  0.0  0.43  1.0

data_Ti2SiAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.94
_cell_length_c   4.99
_cell_angle_alpha   102.23
_cell_angle_beta   90.0
_cell_angle_gamma   106.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SiAg
_chemical_formula_sum   'Ti2 Si1 Ag1'
_cell_volume   65.18
_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  0.26  0.91  1.0
  Ti  Ti1  1  0.0  0.38  0.23  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.82  0.57  1.0

Ti Ti Si Ag