data_La2TiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   5.27
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiAg
_chemical_formula_sum   'La2 Ti1 Ag1'
_cell_volume   100.79
_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
  La  La1  1  0.74  0.64  0.0  1.0
  La  La2  1  0.0  0.64  0.74  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.74  0.0  0.74  1.0

data_La2TiAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.27
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiAg
_chemical_formula_sum   'La2 Ti1 Ag1'
_cell_volume   100.79
_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
  La  La0  1  0.0  0.64  0.74  1.0
  La  La1  1  0.74  0.64  0.0  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.74  0.0  0.74  1.0

La La Ti Ag
La La Ti Ag 0 1 + o - 2 3 - o - 