data_[Li12Ag16Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.0160]
_cell_length_b [10.9472]
_cell_length_c [4.9783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li3(Ag2Pd)2]
_chemical_formula_sum '[Li12 Ag16 Pd8]'
_cell_volume [588.9088]
_cell_formula_units_Z [4]
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  0.1183  0.0677  0.0122  1.0
  Li  Li1  4  0.0000  0.4882  0.7500  1.0
  Ag  Ag2  8  0.0883  0.2019  0.5381  1.0
  Ag  Ag3  8  0.1527  0.3183  0.0742  1.0
  Pd  Pd4  8  0.2042  0.4323  0.5859  1.0
]