data_[Li13Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1608]
_cell_length_b [7.2193]
_cell_length_c [7.4751]
_cell_angle_alpha [67.0041]
_cell_angle_beta [85.9561]
_cell_angle_gamma [83.6789]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li13Pd2]
_chemical_formula_sum '[Li13 Pd2]'
_cell_volume [254.6967]
_cell_formula_units_Z [1]
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  0.1405  0.4934  0.7410  1.0
  Li  Li1  2  0.2061  0.1917  0.1930  1.0
  Li  Li2  2  0.2441  0.9302  0.5881  1.0
  Li  Li3  2  0.3120  0.6532  0.0272  1.0
  Li  Li4  2  0.3488  0.3969  0.4277  1.0
  Li  Li5  2  0.4517  0.1344  0.7904  1.0
  Li  Li6  1  0.0000  0.0000  0.0000  1.0
  Pd  Pd7  2  0.0807  0.7620  0.3650  1.0
]