data_[Dy12Sn4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.6531]
_cell_length_b [13.2897]
_cell_length_c [6.7018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Dy3SnS6]
_chemical_formula_sum '[Dy12 Sn4 S24]'
_cell_volume [948.8115]
_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  8  0.1874  0.1020  0.9854  1.0
  Dy  Dy1  4  0.0000  0.4044  0.8851  1.0
  Sn  Sn2  4  0.0000  0.1730  0.4954  1.0
  S  S3  8  0.1647  0.4693  0.1816  1.0
  S  S4  8  0.1662  0.2646  0.6966  1.0
  S  S5  4  0.0000  0.0089  0.7493  1.0
  S  S6  4  0.0000  0.2305  0.1282  1.0
]