data_[Li2Ac1Ce1Cl8]
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
  Ce  1.1200  1.8500  1.0800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.3322]
_cell_length_b [6.3322]
_cell_length_c [9.1096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Li2AcCeCl8]
_chemical_formula_sum '[Li2 Ac1 Ce1 Cl8]'
_cell_volume [316.3327]
_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  2  0.3333  0.6667  0.7573  1
  Ac  Ac1  1  0.0000  0.0000  0.0000  1
  Ce  Ce2  1  0.0000  0.0000  0.5000  1
  Cl  Cl3  6  0.0176  0.7012  0.2874  1
  Cl  Cl4  2  0.3333  0.6667  0.0018  1
]