data_[Li2Ce1Al1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1272]
_cell_length_b [7.7883]
_cell_length_c [6.2766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2CeAlCl8]
_chemical_formula_sum '[Li2 Ce1 Al1 Cl8]'
_cell_volume [298.4013]
_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  0.5000  0.2357  0.5000  1
  Ce  Ce1  1  0.0000  0.5000  0.0000  1
  Al  Al2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  4  0.2053  0.2135  0.8369  1
  Cl  Cl4  2  0.2612  0.0000  0.2985  1
  Cl  Cl5  2  0.2860  0.5000  0.3495  1
]