data_[Li3B3Pd9]
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 [P-62m]
_cell_length_a [9.2661]
_cell_length_b [9.2661]
_cell_length_c [2.8189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [LiBPd3]
_chemical_formula_sum '[Li3 B3 Pd9]'
_cell_volume [209.6076]
_cell_formula_units_Z [3]
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  3  0.0000  0.3638  0.0000  1.0
  B  B1  2  0.3333  0.6667  0.0000  1.0
  B  B2  1  0.0000  0.0000  0.5000  1.0
  Pd  Pd3  6  0.1678  0.6845  0.5000  1.0
  Pd  Pd4  3  0.0000  0.8243  0.0000  1.0
]