data_TiTlAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   152.07
_cell_angle_beta   152.07
_cell_angle_gamma   39.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlAg
_chemical_formula_sum   'Ti1 Tl1 Ag1'
_cell_volume   59.73
_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  0.0  0.15  1.0
  Tl  Tl2  1  0.0  0.0  0.17  1.0
  Ag  Ag0  1  0.0  0.0  0.07  1.0

data_TiTlAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   109.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiTlAg
_chemical_formula_sum   'Ti2 Tl2 Ag2'
_cell_volume   119.46
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.85  1.0
  Tl  Tl1  2  0.0  0.0  0.83  1.0
  Ag  Ag2  2  0.0  0.0  0.93  1.0

Ti Tl Ag