data_[Li14Tl2Pd10]
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 [Imm2]
_cell_length_a [5.4707]
_cell_length_b [9.1541]
_cell_length_c [8.7029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Li7TlPd5]
_chemical_formula_sum '[Li14 Tl2 Pd10]'
_cell_volume [435.8372]
_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  4  0.0000  0.2980  0.0340  1.0
  Li  Li1  4  0.0000  0.3351  0.5461  1.0
  Li  Li2  2  0.0000  0.0000  0.2134  1.0
  Li  Li3  2  0.0000  0.0000  0.5143  1.0
  Li  Li4  2  0.0000  0.5000  0.2606  1.0
  Tl  Tl5  2  0.0000  0.0000  0.8864  1.0
  Pd  Pd6  8  0.2452  0.2527  0.2895  1.0
  Pd  Pd7  2  0.0000  0.5000  0.8069  1.0
]