data_[Tl10Cd4Hg24]
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 [C2/m]
_cell_length_a [19.7298]
_cell_length_b [6.5652]
_cell_length_c [8.7759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5(CdHg6)2]
_chemical_formula_sum '[Tl10 Cd4 Hg24]'
_cell_volume [1069.3708]
_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  0.1667  0.5000  0.1849  1.0
  Tl  Tl1  4  0.2334  0.0000  0.0878  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  Cd  Cd3  4  0.0000  0.2634  0.0000  1.0
  Hg  Hg4  8  0.1035  0.2525  0.8133  1.0
  Hg  Hg5  8  0.1860  0.2463  0.5693  1.0
  Hg  Hg6  4  0.0436  0.5000  0.3733  1.0
  Hg  Hg7  4  0.1056  0.0000  0.2560  1.0
]