data_[Li4B8Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.7576]
_cell_length_b [12.2436]
_cell_length_c [5.3346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.1679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Li(BPd2)2]
_chemical_formula_sum '[Li4 B8 Pd16]'
_cell_volume [342.1932]
_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  4  0.1636  0.1282  0.5575  1
  B  B1  4  0.1934  0.3991  0.4005  1
  B  B2  4  0.2673  0.1605  0.0722  1
  Pd  Pd3  4  0.1405  0.6837  0.2106  1
  Pd  Pd4  4  0.4425  0.0279  0.4160  1
  Pd  Pd5  4  0.4503  0.4545  0.3041  1
  Pd  Pd6  4  0.4676  0.2540  0.5408  1
]