data_[Li16Sn2Pd4]
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 [Cmmm]
_cell_length_a [8.0123]
_cell_length_b [11.1489]
_cell_length_c [4.2475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li8SnPd2]
_chemical_formula_sum '[Li16 Sn2 Pd4]'
_cell_volume [379.4178]
_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  8  0.1727  0.1354  0.0000  1.0
  Li  Li1  4  0.0000  0.2538  0.5000  1.0
  Li  Li2  4  0.1560  0.5000  0.5000  1.0
  Sn  Sn3  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd4  4  0.0000  0.3796  0.0000  1.0
]