data_[Dy12Tl6Se4S2]
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
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7665]
_cell_length_b [11.6920]
_cell_length_c [8.2711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy6Tl3Se2S]
_chemical_formula_sum '[Dy12 Tl6 Se4 S2]'
_cell_volume [630.1544]
_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  8  0.2309  0.1626  0.2107  1
  Dy  Dy1  4  0.2470  0.5000  0.2159  1
  Tl  Tl2  4  0.0000  0.1737  0.5000  1
  Tl  Tl3  2  0.0000  0.5000  0.5000  1
  Se  Se4  4  0.0000  0.3348  0.0000  1
  S  S5  2  0.0000  0.0000  0.0000  1
]