data_[Dy16Th4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Th  1.3000  1.8000  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8735]
_cell_length_b [12.8766]
_cell_length_c [19.6586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Dy4ThS6]
_chemical_formula_sum '[Dy16 Th4 S24]'
_cell_volume [980.5289]
_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  0.0000  0.1379  0.0391  1
  Dy  Dy1  8  0.0000  0.4112  0.1249  1
  Th  Th2  4  0.0000  0.3448  0.7500  1
  S  S3  8  0.0000  0.0488  0.1671  1
  S  S4  8  0.0000  0.2328  0.5917  1
  S  S5  4  0.0000  0.3138  0.2500  1
  S  S6  4  0.0000  0.5000  0.0000  1
]