data_TlPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   9.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPd
_chemical_formula_sum   'Tl2 Pd2'
_cell_volume   87.48
_cell_formula_units_Z   2
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
  Tl  Tl2  1  0.64  0.95  0.16  1.0
  Tl  Tl3  1  0.0  0.9  0.21  1.0
  Pd  Pd0  1  0.64  0.95  0.33  1.0
  Pd  Pd1  1  0.0  0.9  0.04  1.0

data_TlPd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   9.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TlPd
_chemical_formula_sum   'Tl2 Pd2'
_cell_volume   87.48
_cell_formula_units_Z   2
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
  Tl  Tl0  2  0.32  0.53  0.98  1.0
  Pd  Pd1  2  0.32  0.53  0.15  1.0

Tl Tl Pd Pd