data_[Li12Tl4Pd2]
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 [C2/m]
_cell_length_a [12.4023]
_cell_length_b [5.5702]
_cell_length_c [4.7648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4151]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li6Tl2Pd]
_chemical_formula_sum '[Li12 Tl4 Pd2]'
_cell_volume [320.1870]
_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
[
  Li  Li0  8  0.0995  0.2339  0.6562  1
  Li  Li1  4  0.2075  0.0000  0.2288  1
  Tl  Tl2  4  0.1282  0.5000  0.1769  1
  Pd  Pd3  2  0.0000  0.0000  0.0000  1
]