data_[Li8B4Pd56]
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 [P4_2/mnm]
_cell_length_a [9.5400]
_cell_length_b [9.5400]
_cell_length_c [12.5389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Li2BPd14]
_chemical_formula_sum '[Li8 B4 Pd56]'
_cell_volume [1141.1884]
_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  0.1673  0.1673  0.5000  1
  Li  Li1  4  0.2121  0.2121  0.0000  1
  B  B2  4  0.1235  0.8765  0.0000  1
  Pd  Pd3  16  0.0432  0.6429  0.3274  1
  Pd  Pd4  16  0.0707  0.7252  0.1162  1
  Pd  Pd5  8  0.0963  0.9037  0.3022  1
  Pd  Pd6  8  0.1811  0.1811  0.2474  1
  Pd  Pd7  4  0.0000  0.0000  0.1089  1
  Pd  Pd8  4  0.0000  0.5000  0.0000  1
]