data_Ti3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   145.43
_cell_angle_beta   130.47
_cell_angle_gamma   61.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Ag
_chemical_formula_sum   'Ti3 Ag1'
_cell_volume   68.72
_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  0.28  0.33  1.0
  Ti  Ti2  1  0.62  0.0  0.34  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.67  1.0

data_Ti3Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.56
_cell_length_c   5.44
_cell_angle_alpha   114.77
_cell_angle_beta   107.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Ag
_chemical_formula_sum   'Ti3 Ag1'
_cell_volume   68.72
_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
  Ti  Ti1  1  0.28  0.66  0.28  1.0
  Ti  Ti2  1  0.67  0.95  0.95  1.0
  Ag  Ag3  1  0.33  0.33  0.33  1.0

Ti Ti Ti Ag