data_[Li1Ac3Pd2O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.6728]
_cell_length_b [5.6728]
_cell_length_c [6.9813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [LiAc3Pd2O9]
_chemical_formula_sum '[Li1 Ac3 Pd2 O9]'
_cell_volume [194.5617]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Ac  Ac1  2  0.3333  0.6667  0.6571  1
  Ac  Ac2  1  0.0000  0.0000  0.0000  1
  Pd  Pd3  2  0.3333  0.6667  0.1720  1
  O  O4  6  0.1693  0.8307  0.3335  1
  O  O5  3  0.0000  0.5000  0.0000  1
]