data_[Li8Tl12Pd12]
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 [Cmcm]
_cell_length_a [3.9890]
_cell_length_b [9.6127]
_cell_length_c [16.3291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li2(TlPd)3]
_chemical_formula_sum '[Li8 Tl12 Pd12]'
_cell_volume [626.1388]
_cell_formula_units_Z [4]
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  0.0000  0.2785  0.1553  1.0
  Tl  Tl1  8  0.0000  0.3595  0.5519  1.0
  Tl  Tl2  4  0.0000  0.4288  0.7500  1.0
  Pd  Pd3  8  0.0000  0.0675  0.5809  1.0
  Pd  Pd4  4  0.0000  0.1351  0.7500  1.0
]