data_[Li1Ac4Cd5]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0067]
_cell_length_b [4.0067]
_cell_length_c [19.6674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LiAc4Cd5]
_chemical_formula_sum '[Li1 Ac4 Cd5]'
_cell_volume [315.7331]
_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  0.0000  1
  Ac  Ac1  2  0.0000  0.0000  0.1841  1
  Ac  Ac2  2  0.0000  0.0000  0.3937  1
  Cd  Cd3  2  0.5000  0.5000  0.0757  1
  Cd  Cd4  2  0.5000  0.5000  0.2894  1
  Cd  Cd5  1  0.5000  0.5000  0.5000  1
]