data_Li2TlAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlAg
_chemical_formula_sum   'Li2 Tl1 Ag1'
_cell_volume   73.37
_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
  Li  Li1  1  0.66  0.69  0.47  1.0
  Li  Li2  1  0.65  0.69  0.96  1.0
  Tl  Tl3  1  0.96  0.0  0.21  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Li2TlAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   6.43
_cell_angle_alpha   90.65
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlAg
_chemical_formula_sum   'Li2 Tl1 Ag1'
_cell_volume   73.37
_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
  Li  Li0  1  0.31  0.34  0.53  1.0
  Li  Li1  1  0.31  0.35  0.04  1.0
  Tl  Tl2  1  0.0  0.04  0.79  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

Li Li Tl Ag