data_[Tl16Ag2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2616]
_cell_length_b [8.6926]
_cell_length_c [5.1229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl8AgHg2]
_chemical_formula_sum '[Tl16 Ag2 Hg4]'
_cell_volume [645.9542]
_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  0.1487  0.2807  0.6385  1
  Tl  Tl1  4  0.0000  0.3150  0.0000  1
  Tl  Tl2  4  0.1331  0.0000  0.1273  1
  Ag  Ag3  2  0.0000  0.0000  0.5000  1
  Hg  Hg4  4  0.2041  0.5000  0.1903  1
]