data_[Li6Pd26]
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 [Amm2]
_cell_length_a [7.9695]
_cell_length_b [7.8437]
_cell_length_c [7.6807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Li3Pd13]
_chemical_formula_sum '[Li6 Pd26]'
_cell_volume [480.1245]
_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  0.2534  0.0000  0.9972  1.0
  Li  Li1  2  0.0000  0.0000  0.2566  1.0
  Pd  Pd2  8  0.2473  0.2497  0.2498  1.0
  Pd  Pd3  4  0.0000  0.2471  0.0014  1.0
  Pd  Pd4  4  0.2467  0.0000  0.4973  1.0
  Pd  Pd5  4  0.5000  0.2497  0.4996  1.0
  Pd  Pd6  2  0.0000  0.0000  0.7541  1.0
  Pd  Pd7  2  0.5000  0.0000  0.2453  1.0
  Pd  Pd8  2  0.5000  0.0000  0.7537  1.0
]