data_[Li4Al4Sn4S16]
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
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.2198]
_cell_length_b [7.5289]
_cell_length_c [10.3827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [LiAlSnS4]
_chemical_formula_sum '[Li4 Al4 Sn4 S16]'
_cell_volume [564.3709]
_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  0.2500  0.3609  1.0
  Al  Al1  4  0.2500  0.2500  0.7500  1.0
  Sn  Sn2  4  0.0000  0.0000  0.0000  1.0
  S  S3  8  0.0000  0.0290  0.7537  1.0
  S  S4  8  0.2461  0.2500  0.9871  1.0
]