data_[Tl16Cd2Hg10]
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 [I-4]
_cell_length_a [9.5495]
_cell_length_b [9.5495]
_cell_length_c [9.4730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Tl8CdHg5]
_chemical_formula_sum '[Tl16 Cd2 Hg10]'
_cell_volume [863.8603]
_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  8  0.0729  0.3260  0.4539  1.0
  Tl  Tl1  8  0.0787  0.1763  0.8004  1.0
  Cd  Cd2  2  0.0000  0.5000  0.7500  1.0
  Hg  Hg3  8  0.1219  0.2476  0.1278  1.0
  Hg  Hg4  2  0.0000  0.0000  0.5000  1.0
]