data_[Si8Sn4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  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 [12.9229]
_cell_length_b [13.0495]
_cell_length_c [5.9467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5710]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Si2SnS6]
_chemical_formula_sum '[Si8 Sn4 S24]'
_cell_volume [896.9128]
_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
[
  Si  Si0  8  0.2160  0.4223  0.8268  1.0
  Sn  Sn1  4  0.0000  0.2103  0.7500  1.0
  S  S2  8  0.1069  0.0895  0.0969  1.0
  S  S3  8  0.1294  0.2906  0.6056  1.0
  S  S4  8  0.1610  0.4351  0.1169  1.0
]