data_[Dy12Tl2Hg4Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6435]
_cell_length_b [4.1226]
_cell_length_c [9.2260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy6TlHg2Te3]
_chemical_formula_sum '[Dy12 Tl2 Hg4 Te6]'
_cell_volume [699.6511]
_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  0.0057  0.0000  0.2541  1.0
  Dy  Dy1  4  0.1639  0.5000  0.6008  1.0
  Dy  Dy2  4  0.1687  0.5000  0.1055  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg4  4  0.1768  0.0000  0.3647  1.0
  Te  Te5  4  0.1635  0.0000  0.8496  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]