data_[Li4La8Al4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9407]
_cell_length_b [16.9998]
_cell_length_c [11.5048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiLa2AlS5]
_chemical_formula_sum '[Li4 La8 Al4 S20]'
_cell_volume [770.7261]
_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  4  0.0000  0.2136  0.0193  1.0
  La  La1  4  0.0000  0.1232  0.6846  1.0
  La  La2  4  0.0000  0.1331  0.3061  1.0
  Al  Al3  4  0.0000  0.4324  0.4521  1.0
  S  S4  4  0.0000  0.0444  0.0523  1.0
  S  S5  4  0.0000  0.2942  0.6661  1.0
  S  S6  4  0.0000  0.3145  0.3607  1.0
  S  S7  4  0.0000  0.3576  0.0017  1.0
  S  S8  4  0.0000  0.4991  0.2811  1.0
]