data_[Dy4Hf2Tl6S12]
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
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6745]
_cell_length_b [11.6103]
_cell_length_c [8.6906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy2Hf(TlS2)3]
_chemical_formula_sum '[Dy4 Hf2 Tl6 S12]'
_cell_volume [639.1880]
_cell_formula_units_Z [2]
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  0.0000  0.3338  0.0000  1.0
  Hf  Hf1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.3310  0.5000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.5000  1.0
  S  S4  8  0.0836  0.1573  0.8209  1.0
  S  S5  4  0.1120  0.5000  0.8183  1.0
]