data_[Li8P4Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3172]
_cell_length_b [14.6604]
_cell_length_c [10.2223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li2PPd5]
_chemical_formula_sum '[Li8 P4 Pd20]'
_cell_volume [646.9793]
_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  0.1290  0.6137  1
  P  P1  4  0.0000  0.1657  0.2500  1
  Pd  Pd2  8  0.0000  0.0486  0.1112  1
  Pd  Pd3  8  0.0000  0.2597  0.0759  1
  Pd  Pd4  4  0.0000  0.2800  0.7500  1
]