data_[Dy4U8S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  U  1.3800  1.7500  0.9913
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.7371]
_cell_length_b [5.4856]
_cell_length_c [11.6453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [DyU2S3]
_chemical_formula_sum '[Dy4 U8 S12]'
_cell_volume [494.2511]
_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  0.1263  0.7500  0.0822  1
  U  U1  4  0.1225  0.7500  0.4164  1
  U  U2  4  0.1240  0.7500  0.7510  1
  S  S3  4  0.1254  0.2500  0.4162  1
  S  S4  4  0.1257  0.2500  0.7516  1
  S  S5  4  0.1263  0.2500  0.0827  1
]