data_[Li4Al2Sn2S8]
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 [Pmn2_1]
_cell_length_a [8.1541]
_cell_length_b [6.9431]
_cell_length_c [6.3331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2AlSnS4]
_chemical_formula_sum '[Li4 Al2 Sn2 S8]'
_cell_volume [358.5455]
_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  4  0.2485  0.3282  0.4951  1.0
  Al  Al1  2  0.0000  0.8347  0.5025  1.0
  Sn  Sn2  2  0.0000  0.1730  0.9875  1.0
  S  S3  4  0.2175  0.6672  0.3801  1.0
  S  S4  2  0.0000  0.1468  0.3975  1.0
  S  S5  2  0.0000  0.8230  0.8621  1.0
]