data_[Li6Sn22Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.7279]
_cell_length_b [9.5154]
_cell_length_c [9.4141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Li3Sn11Pd4]
_chemical_formula_sum '[Li6 Sn22 Pd8]'
_cell_volume [781.8350]
_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  0.5000  0.2472  0.7470  1.0
  Li  Li1  2  0.0000  0.0000  0.3205  1.0
  Sn  Sn2  8  0.3200  0.1572  0.4975  1.0
  Sn  Sn3  4  0.0000  0.1664  0.0028  1.0
  Sn  Sn4  4  0.3166  0.0000  0.1664  1.0
  Sn  Sn5  4  0.3222  0.0000  0.8473  1.0
  Sn  Sn6  2  0.0000  0.0000  0.6594  1.0
  Pd  Pd7  8  0.1821  0.2461  0.7508  1.0
]