data_[Dy12Tl4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.0011]
_cell_length_b [3.9341]
_cell_length_c [14.8119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Dy3TlS]
_chemical_formula_sum '[Dy12 Tl4 S4]'
_cell_volume [524.5136]
_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  0.0292  0.2500  0.8894  1
  Dy  Dy1  4  0.1663  0.2500  0.4882  1
  Dy  Dy2  4  0.2079  0.7500  0.7160  1
  Tl  Tl3  4  0.0688  0.7500  0.3273  1
  S  S4  4  0.1599  0.2500  0.0546  1
]