data_[Tl8Cd2Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [9.1040]
_cell_length_b [5.1853]
_cell_length_c [9.1853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0382]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl8Cd2Hg3]
_chemical_formula_sum '[Tl8 Cd2 Hg3]'
_cell_volume [407.3594]
_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
[
  Tl  Tl0  2  0.1300  0.0000  0.8679  1
  Tl  Tl1  2  0.1337  0.5000  0.3886  1
  Tl  Tl2  2  0.3721  0.0000  0.6213  1
  Tl  Tl3  2  0.3891  0.5000  0.1299  1
  Cd  Cd4  2  0.2455  0.5000  0.7503  1
  Hg  Hg5  2  0.2557  0.0000  0.2511  1
  Hg  Hg6  1  0.0000  0.5000  0.0000  1
]