data_[Sr4Ti4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ti  1.5400  1.4000  0.8517
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [6.6575]
_cell_length_b [11.4665]
_cell_length_c [5.7653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [SrTiS3]
_chemical_formula_sum '[Sr4 Ti4 S12]'
_cell_volume [440.1139]
_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  0.3272  0.2500  1.0
  Ti  Ti1  4  0.0486  0.0000  0.5000  1.0
  S  S2  8  0.2432  0.4157  0.7318  1.0
  S  S3  4  0.0000  0.1675  0.7500  1.0
]