data_[Dy4Tl4Zn4Se12]
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
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3159]
_cell_length_b [4.1987]
_cell_length_c [9.1617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [DyTlZnSe3]
_chemical_formula_sum '[Dy4 Tl4 Zn4 Se12]'
_cell_volume [646.3014]
_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  0.1717  0.0000  0.5892  1
  Tl  Tl1  4  0.1403  0.0000  0.0666  1
  Zn  Zn2  4  0.0078  0.5000  0.7166  1
  Se  Se3  4  0.1580  0.5000  0.7901  1
  Se  Se4  4  0.1594  0.5000  0.3668  1
  Se  Se5  2  0.0000  0.0000  0.5000  1
  Se  Se6  2  0.0000  0.5000  0.0000  1
]