data_[Si8Sb4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.1874]
_cell_length_b [11.3265]
_cell_length_c [6.2288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4598]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Si2SbS6]
_chemical_formula_sum '[Si8 Sb4 S24]'
_cell_volume [832.5883]
_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  0.1998  0.4229  0.2991  1
  Sb  Sb1  4  0.0000  0.1357  0.2500  1
  S  S2  8  0.1201  0.0834  0.6596  1
  S  S3  8  0.1331  0.2696  0.1117  1
  S  S4  8  0.1385  0.4242  0.5936  1
]