data_[Tl12Cd10Hg2]
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 [P6_3/mcm]
_cell_length_a [8.7733]
_cell_length_b [8.7733]
_cell_length_c [10.7014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Tl6Cd5Hg]
_chemical_formula_sum '[Tl12 Cd10 Hg2]'
_cell_volume [713.3445]
_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  12  0.0000  0.3179  0.5913  1
  Cd  Cd1  6  0.0000  0.3656  0.2500  1
  Cd  Cd2  4  0.3333  0.6667  0.5000  1
  Hg  Hg3  2  0.0000  0.0000  0.2500  1
]