data_[Li6Tl1Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.7540]
_cell_length_b [5.7540]
_cell_length_c [4.6819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Li6TlPd]
_chemical_formula_sum '[Li6 Tl1 Pd1]'
_cell_volume [134.2445]
_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  3  0.0055  0.5028  0.0000  1
  Li  Li1  3  0.3109  0.1555  0.5000  1
  Tl  Tl2  1  0.3333  0.6667  0.5000  1
  Pd  Pd3  1  0.0000  0.0000  0.0000  1
]