data_[Dy5Tl4Hg1]
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
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6798]
_cell_length_b [3.6798]
_cell_length_c [19.9839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Dy5Tl4Hg]
_chemical_formula_sum '[Dy5 Tl4 Hg1]'
_cell_volume [270.6056]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.0952  1.0
  Dy  Dy1  2  0.5000  0.5000  0.2973  1.0
  Dy  Dy2  1  0.5000  0.5000  0.5000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.1954  1.0
  Tl  Tl4  2  0.0000  0.0000  0.3985  1.0
  Hg  Hg5  1  0.0000  0.0000  0.0000  1.0
]