data_[Sr4Al8Sn4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [13.3010]
_cell_length_b [12.7022]
_cell_length_c [6.8366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrAl2SnS6]
_chemical_formula_sum '[Sr4 Al8 Sn4 S24]'
_cell_volume [1052.4006]
_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
[
  Sr  Sr0  4  0.0000  0.3596  0.7500  1.0
  Al  Al1  8  0.2199  0.4143  0.3289  1.0
  Sn  Sn2  4  0.0000  0.1765  0.2500  1.0
  S  S3  8  0.0998  0.0961  0.5980  1.0
  S  S4  8  0.1428  0.2597  0.1648  1.0
  S  S5  8  0.1456  0.4628  0.5585  1.0
]