data_Ta2TiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   2.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiAg
_chemical_formula_sum   'Ta2 Ti1 Ag1'
_cell_volume   71.02
_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
  Ta  Ta1  1  0.44  0.84  0.43  1.0
  Ta  Ta2  1  0.44  0.16  0.43  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.87  0.0  0.0  1.0

data_Ta2TiAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   112.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiAg
_chemical_formula_sum   'Ta2 Ti1 Ag1'
_cell_volume   71.02
_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
  Ta  Ta0  1  0.43  0.44  0.84  1.0
  Ta  Ta1  1  0.43  0.44  0.16  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.87  0.0  1.0

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