data_TiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   8.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAg
_chemical_formula_sum   'Ti2 Ag2'
_cell_volume   69.64
_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  0.0  0.95  0.21  1.0
  Ti  Ti3  1  0.0  0.05  0.1  1.0
  Ag  Ag0  1  0.0  0.95  0.24  1.0
  Ag  Ag1  1  0.0  0.05  0.07  1.0

data_TiAg
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   8.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   TiAg
_chemical_formula_sum   'Ti2 Ag2'
_cell_volume   69.71
_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, y, -z'
  4  '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  2  0.05  0.0  0.95  1.0
  Ag  Ag1  2  0.05  0.0  0.92  1.0

Ti Ti Ag Ag