data_[Sr4Si4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4470]
_cell_length_b [8.8307]
_cell_length_c [4.8106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrSiS3]
_chemical_formula_sum '[Sr4 Si4 S12]'
_cell_volume [485.0675]
_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  0.2037  0.0000  0.2549  1.0
  Si  Si1  4  0.0000  0.3314  0.5000  1.0
  S  S2  8  0.1277  0.2077  0.7336  1.0
  S  S3  4  0.0971  0.5000  0.2747  1.0
]