data_[Dy4Si4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5126]
_cell_length_b [7.2105]
_cell_length_c [10.9572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4220]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [DySiS3]
_chemical_formula_sum '[Dy4 Si4 S12]'
_cell_volume [429.4572]
_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
[
  Dy  Dy0  4  0.2904  0.1264  0.7476  1.0
  Si  Si1  4  0.3508  0.6054  0.9324  1.0
  S  S2  4  0.0809  0.0228  0.2326  1.0
  S  S3  4  0.2180  0.6894  0.0629  1.0
  S  S4  4  0.4314  0.1762  0.0745  1.0
]