data_LiTlPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.2
_cell_length_c   3.35
_cell_angle_alpha   71.89
_cell_angle_beta   70.71
_cell_angle_gamma   37.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTlPd
_chemical_formula_sum   'Li1 Tl1 Pd1'
_cell_volume   52.18
_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  0.33  0.41  0.15  1.0
  Tl  Tl2  1  0.33  0.41  0.11  1.0
  Pd  Pd1  1  0.33  0.41  0.05  1.0

data_LiTlPd
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.35
_cell_length_b   9.31
_cell_length_c   3.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   LiTlPd
_chemical_formula_sum   'Li2 Tl2 Pd2'
_cell_volume   104.42
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.5  0.56  1.0
  Tl  Tl1  2  0.0  0.5  0.52  1.0
  Pd  Pd2  2  0.0  0.5  0.45  1.0

Li Tl Pd
Li Tl Pd 0 1 o o o 1 2 o o o 