data_[Li2Tl2Pd12]
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 [5.6192]
_cell_length_b [10.0576]
_cell_length_c [5.4414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiTlPd6]
_chemical_formula_sum '[Li2 Tl2 Pd12]'
_cell_volume [270.2606]
_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  2  0.0000  0.0000  0.0000  1
  Tl  Tl1  2  0.0000  0.0000  0.5000  1
  Pd  Pd2  8  0.0072  0.7644  0.2487  1
  Pd  Pd3  4  0.0419  0.5000  0.7701  1
]