data_[Dy4Tl1Hg1Se2]
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/m]
_cell_length_a [6.8993]
_cell_length_b [3.9812]
_cell_length_c [8.0447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Dy4TlHgSe2]
_chemical_formula_sum '[Dy4 Tl1 Hg1 Se2]'
_cell_volume [211.7548]
_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  0.2402  0.0000  0.7256  1.0
  Dy  Dy1  2  0.2554  0.5000  0.2729  1.0
  Tl  Tl2  1  0.5000  0.5000  0.0000  1.0
  Hg  Hg3  1  0.0000  0.0000  0.0000  1.0
  Se  Se4  1  0.0000  0.5000  0.5000  1.0
  Se  Se5  1  0.5000  0.0000  0.5000  1.0
]