data_[Li8Ta4Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.5897]
_cell_length_b [6.5897]
_cell_length_c [10.8796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Li2TaPd5]
_chemical_formula_sum '[Li8 Ta4 Pd20]'
_cell_volume [472.4436]
_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  0.1446  0.6446  0.5000  1.0
  Ta  Ta1  4  0.0000  0.0000  0.2500  1.0
  Pd  Pd2  16  0.1513  0.3487  0.3442  1.0
  Pd  Pd3  4  0.0000  0.0000  0.0000  1.0
]