data_[Dy2Tl2Hg2Se6]
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
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9029]
_cell_length_b [4.2689]
_cell_length_c [10.0976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [DyTlHgSe3]
_chemical_formula_sum '[Dy2 Tl2 Hg2 Se6]'
_cell_volume [367.6923]
_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  2  0.3257  0.7500  0.8618  1.0
  Tl  Tl1  2  0.2168  0.2500  0.2255  1.0
  Hg  Hg2  2  0.0892  0.2500  0.6135  1.0
  Se  Se3  2  0.1071  0.2500  0.8809  1.0
  Se  Se4  2  0.2401  0.7500  0.5443  1.0
  Se  Se5  2  0.4602  0.7500  0.1528  1.0
]