data_[Li4Be4Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Be  1.5700  1.0500  0.5900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7564]
_cell_length_b [6.0172]
_cell_length_c [8.8748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4267]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiBePd5]
_chemical_formula_sum '[Li4 Be4 Pd20]'
_cell_volume [435.2821]
_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  0.0000  0.4292  0.7500  1
  Be  Be1  4  0.2500  0.2500  0.5000  1
  Pd  Pd2  8  0.1121  0.1446  0.9895  1
  Pd  Pd3  8  0.2238  0.1402  0.7357  1
  Pd  Pd4  4  0.0000  0.1614  0.2500  1
]