data_[La12Dy3Y9S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Dy  1.2200  1.7500  1.1310
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0301]
_cell_length_b [8.0301]
_cell_length_c [19.9790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La4DyY3S8]
_chemical_formula_sum '[La12 Dy3 Y9 S24]'
_cell_volume [1115.6998]
_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
[
  La  La0  9  0.0000  0.5000  0.5000  1.0
  La  La1  3  -0.0000  -0.0000  0.5000  1.0
  Y  Y2  9  0.0000  0.5000  0.0000  1.0
  Dy  Dy3  3  0.0000  0.0000  0.0000  1.0
  S  S4  18  0.0005  0.5003  0.7434  1.0
  S  S5  6  0.0000  0.0000  0.2565  1.0
]