data_LiTlAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   141.87
_cell_angle_beta   140.23
_cell_angle_gamma   56.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTlAu
_chemical_formula_sum   'Li1 Tl1 Au1'
_cell_volume   59.6
_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  0.1  1.0
  Tl  Tl2  1  0.0  0.0  0.14  1.0
  Au  Au0  1  0.0  0.0  0.17  1.0

data_LiTlAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.63
_cell_length_c   5.34
_cell_angle_alpha   109.88
_cell_angle_beta   109.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTlAu
_chemical_formula_sum   'Li1 Tl1 Au1'
_cell_volume   59.6
_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  0.0  0.1  0.1  1.0
  Tl  Tl1  1  0.0  0.14  0.14  1.0
  Au  Au2  1  0.0  0.17  0.17  1.0

Li Tl Au