data_[Dy8Hf4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Hf  1.3000  1.5500  0.8500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1816]
_cell_length_b [13.1313]
_cell_length_c [12.7393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Dy2HfS5]
_chemical_formula_sum '[Dy8 Hf4 S20]'
_cell_volume [866.7912]
_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  0.1451  0.5614  1.0
  Hf  Hf1  4  0.0000  0.1902  0.2500  1.0
  S  S2  8  0.0000  0.0487  0.1230  1.0
  S  S3  8  0.0000  0.3072  0.0847  1.0
  S  S4  4  0.0000  0.2647  0.7500  1.0
]