data_[Cs4Al8Sn4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [C2/c]
_cell_length_a [12.0705]
_cell_length_b [14.8568]
_cell_length_c [7.3696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsAl2SnS6]
_chemical_formula_sum '[Cs4 Al8 Sn4 S24]'
_cell_volume [1232.6625]
_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
[
  Cs  Cs0  4  0.0000  0.0976  0.2500  1
  Al  Al1  8  0.1648  0.4190  0.0803  1
  Sn  Sn2  4  0.0000  0.2217  0.7500  1
  S  S3  8  0.0523  0.2954  0.0598  1
  S  S4  8  0.1193  0.4711  0.7677  1
  S  S5  8  0.1423  0.1023  0.7434  1
]