data_[Dy12Tl4Se24]
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
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.2270]
_cell_length_b [14.0579]
_cell_length_c [6.9444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Dy3TlSe6]
_chemical_formula_sum '[Dy12 Tl4 Se24]'
_cell_volume [1096.0202]
_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  8  0.1858  0.0968  0.9848  1.0
  Dy  Dy1  4  0.0000  0.4082  0.8859  1.0
  Tl  Tl2  4  0.0000  0.2034  0.5025  1.0
  Se  Se3  8  0.1633  0.4647  0.1823  1.0
  Se  Se4  8  0.1767  0.2748  0.7259  1.0
  Se  Se5  4  0.0000  0.0295  0.6877  1.0
  Se  Se6  4  0.0000  0.2226  0.1231  1.0
]