data_[Sr4Al8Si4S24]
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
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.6958]
_cell_length_b [13.3402]
_cell_length_c [6.8039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrAl2SiS6]
_chemical_formula_sum '[Sr4 Al8 Si4 S24]'
_cell_volume [1033.6878]
_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  0.3650  0.7500  1.0
  Al  Al1  8  0.2353  0.4136  0.3724  1.0
  Si  Si2  4  0.0000  0.1991  0.2500  1.0
  S  S3  8  0.0767  0.1174  0.5502  1.0
  S  S4  8  0.1345  0.2732  0.1913  1.0
  S  S5  8  0.1614  0.4683  0.5984  1.0
]