data_[Tl2Ag2Hg4]
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 [Cm]
_cell_length_a [9.6759]
_cell_length_b [4.0395]
_cell_length_c [5.4064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlAgHg2]
_chemical_formula_sum '[Tl2 Ag2 Hg4]'
_cell_volume [200.5907]
_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  2  0.0086  0.5000  0.5157  1
  Ag  Ag1  2  0.2551  0.0000  0.7815  1
  Hg  Hg2  2  0.2461  0.5000  0.2316  1
  Hg  Hg3  2  0.4902  0.5000  0.9712  1
]