data_LiTl2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   5.45
_cell_angle_alpha   102.96
_cell_angle_beta   102.96
_cell_angle_gamma   41.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl2Pd
_chemical_formula_sum   'Li1 Tl2 Pd1'
_cell_volume   85.43
_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  0.0  0.0  1.0
  Tl  Tl2  1  0.61  0.0  0.37  1.0
  Tl  Tl3  1  0.26  0.0  0.92  1.0
  Pd  Pd1  1  0.93  0.0  0.64  1.0

data_LiTl2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.91
_cell_length_c   5.45
_cell_angle_alpha   102.96
_cell_angle_beta   90.0
_cell_angle_gamma   110.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl2Pd
_chemical_formula_sum   'Li1 Tl2 Pd1'
_cell_volume   85.43
_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  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.39  0.63  1.0
  Tl  Tl2  1  0.0  0.74  0.08  1.0
  Pd  Pd3  1  0.0  0.07  0.36  1.0

Li Tl Tl Pd