data_[Li12Bi12Pd8]
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 [Cmcm]
_cell_length_a [4.5073]
_cell_length_b [10.4582]
_cell_length_c [14.5716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li3Bi3Pd2]
_chemical_formula_sum '[Li12 Bi12 Pd8]'
_cell_volume [686.8767]
_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  0.0000  0.0611  0.6118  1.0
  Li  Li1  4  0.0000  0.2743  0.7500  1.0
  Bi  Bi2  8  0.0000  0.3626  0.5417  1.0
  Bi  Bi3  4  0.0000  0.4459  0.2500  1.0
  Pd  Pd4  8  0.0000  0.2337  0.1355  1.0
]