data_[Li8La2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [8.2454]
_cell_length_b [8.2454]
_cell_length_c [4.4030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Li4LaPd4]
_chemical_formula_sum '[Li8 La2 Pd8]'
_cell_volume [299.3429]
_cell_formula_units_Z [2]
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  0.0704  0.6318  0.0000  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  8  0.1361  0.7784  0.5000  1.0
]