data_NaTl2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   3.29
_cell_angle_alpha   99.58
_cell_angle_beta   99.58
_cell_angle_gamma   111.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTl2Pd
_chemical_formula_sum   'Na1 Tl2 Pd1'
_cell_volume   94.04
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.1  0.65  0.57  1.0
  Tl  Tl3  1  0.1  0.35  0.57  1.0
  Pd  Pd1  1  0.18  0.0  0.0  1.0

data_NaTl2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   111.85
_cell_angle_beta   99.58
_cell_angle_gamma   99.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTl2Pd
_chemical_formula_sum   'Na1 Tl2 Pd1'
_cell_volume   94.04
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.57  0.1  0.35  1.0
  Tl  Tl2  1  0.57  0.1  0.65  1.0
  Pd  Pd3  1  0.0  0.18  0.0  1.0

Na Tl Tl Pd