data_[Li2Al2S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.5951]
_cell_length_b [3.7295]
_cell_length_c [6.9755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiAlS2]
_chemical_formula_sum '[Li2 Al2 S4]'
_cell_volume [171.4937]
_cell_formula_units_Z [2]
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  0.4099  0.5000  0.6151  1.0
  Li  Li1  1  0.9132  0.5000  0.9420  1.0
  Al  Al2  1  0.6131  0.0000  0.1299  1.0
  Al  Al3  1  0.9015  0.0000  0.4639  1.0
  S  S4  1  0.0318  0.5000  0.6153  1.0
  S  S5  1  0.5135  0.5000  0.9640  1.0
  S  S6  1  0.5560  0.0000  0.4487  1.0
  S  S7  1  0.9617  0.0000  0.1471  1.0
]