data_[Li1Ac4Pd3]
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
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1803]
_cell_length_b [4.7844]
_cell_length_c [11.6961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [LiAc4Pd3]
_chemical_formula_sum '[Li1 Ac4 Pd3]'
_cell_volume [233.9242]
_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  0.5000  0.5000  0.0640  1
  Ac  Ac1  1  0.0000  0.0000  0.1405  1
  Ac  Ac2  1  0.0000  0.5000  0.8545  1
  Ac  Ac3  1  0.5000  0.0000  0.6345  1
  Ac  Ac4  1  0.5000  0.5000  0.3717  1
  Pd  Pd5  1  0.0000  0.0000  0.4191  1
  Pd  Pd6  1  0.0000  0.5000  0.5891  1
  Pd  Pd7  1  0.5000  0.0000  0.9267  1
]