data_[Li8Al4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9649]
_cell_length_b [12.2635]
_cell_length_c [11.8485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li2AlCl5]
_chemical_formula_sum '[Li8 Al4 Cl20]'
_cell_volume [721.4148]
_cell_formula_units_Z [4]
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  8  0.0000  0.1321  0.5825  1.0
  Al  Al1  4  0.0000  0.2063  0.2500  1.0
  Cl  Cl2  8  0.0000  0.0738  0.1155  1.0
  Cl  Cl3  8  0.0000  0.3361  0.1089  1.0
  Cl  Cl4  4  0.0000  0.2705  0.7500  1.0
]