data_[Li4Pd6O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3977]
_cell_length_b [6.1398]
_cell_length_c [5.2285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Pd3O8]
_chemical_formula_sum '[Li4 Pd6 O16]'
_cell_volume [309.2284]
_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  4  0.1820  0.5000  0.6374  1.0
  Pd  Pd1  4  0.0000  0.2566  0.0000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.1050  0.2380  0.7516  1.0
  O  O4  4  0.1095  0.0000  0.2468  1.0
  O  O5  4  0.1147  0.5000  0.2176  1.0
]