data_[Li12Ag12Pd4]
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/m]
_cell_length_a [6.4574]
_cell_length_b [8.0125]
_cell_length_c [9.2985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Ag3Pd]
_chemical_formula_sum '[Li12 Ag12 Pd4]'
_cell_volume [481.0957]
_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  0.1895  0.3005  0.7420  1.0
  Li  Li1  4  0.1938  0.5000  0.0700  1.0
  Ag  Ag2  4  0.0000  0.1827  0.5000  1.0
  Ag  Ag3  4  0.0000  0.2112  0.0000  1.0
  Ag  Ag4  4  0.1473  0.5000  0.3940  1.0
  Pd  Pd5  4  0.0066  0.0000  0.2362  1.0
]