data_[Li8Bi12Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.4573]
_cell_length_b [10.2718]
_cell_length_c [5.0690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2Bi3Pd4]
_chemical_formula_sum '[Li8 Bi12 Pd16]'
_cell_volume [689.0000]
_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  0.2199  0.3795  0.3785  1.0
  Bi  Bi1  8  0.1587  0.1279  0.0652  1.0
  Bi  Bi2  4  0.0000  0.3759  0.2500  1.0
  Pd  Pd3  8  0.0656  0.1306  0.5264  1.0
  Pd  Pd4  8  0.1198  0.3882  0.8129  1.0
]