data_LiTl2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl2Ag
_chemical_formula_sum   'Li1 Tl2 Ag1'
_cell_volume   90.21
_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  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.37  0.0  0.93  1.0
  Tl  Tl3  1  0.37  0.0  0.91  1.0
  Ag  Ag0  1  0.0  0.0  0.92  1.0

data_LiTl2Ag
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiTl2Ag
_chemical_formula_sum   'Li1 Tl2 Ag1'
_cell_volume   90.24
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.37  0.0  0.91  1.0
  Tl  Tl2  1  0.37  0.0  0.93  1.0
  Ag  Ag3  1  0.0  0.0  0.92  1.0

Li Tl Tl Ag