data_[Dy3Y6Al3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.7294]
_cell_length_b [6.7294]
_cell_length_c [17.8167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [DyY2AlS6]
_chemical_formula_sum '[Dy3 Y6 Al3 S18]'
_cell_volume [698.7388]
_cell_formula_units_Z [3]
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
[
  Y  Y0  3  0.0000  0.0000  0.0202  1.0
  Y  Y1  3  0.0000  0.0000  0.5230  1.0
  Dy  Dy2  3  0.0000  0.0000  0.8162  1.0
  Al  Al3  3  0.0000  0.0000  0.3207  1.0
  S  S4  9  0.0174  0.7230  0.4099  1.0
  S  S5  9  0.0415  0.3352  0.9174  1.0
]