data_[Li24Tl4Pd10]
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 [11.8854]
_cell_length_b [7.9720]
_cell_length_c [8.7768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.2477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li12Tl2Pd5]
_chemical_formula_sum '[Li24 Tl4 Pd10]'
_cell_volume [644.0100]
_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  0.1013  0.7945  0.3780  1.0
  Li  Li1  8  0.1953  0.1971  0.8013  1.0
  Li  Li2  4  0.1260  0.0000  0.9968  1.0
  Li  Li3  4  0.1428  0.5000  0.5729  1.0
  Tl  Tl4  4  0.0000  0.2901  0.0000  1.0
  Pd  Pd5  4  0.0908  0.5000  0.8302  1.0
  Pd  Pd6  4  0.2084  0.5000  0.3364  1.0
  Pd  Pd7  2  0.0000  0.0000  0.5000  1.0
]