data_[Tl10Cd2Hg4]
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 [Pbam]
_cell_length_a [7.0721]
_cell_length_b [13.2666]
_cell_length_c [5.1087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Tl5CdHg2]
_chemical_formula_sum '[Tl10 Cd2 Hg4]'
_cell_volume [479.3162]
_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
[
  Tl  Tl0  4  0.1242  0.7405  0.0000  1.0
  Tl  Tl1  4  0.1689  0.3857  0.5000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd3  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg4  4  0.1591  0.1308  0.5000  1.0
]