data_[Tl4Ag2Hg2]
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 [12.4512]
_cell_length_b [3.4056]
_cell_length_c [5.4268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl2AgHg]
_chemical_formula_sum '[Tl4 Ag2 Hg2]'
_cell_volume [213.7941]
_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  0.0084  0.0000  0.0323  1.0
  Tl  Tl1  2  0.2232  0.0000  0.6983  1.0
  Ag  Ag2  2  0.4888  0.0000  0.5246  1.0
  Hg  Hg3  2  0.2795  0.5000  0.2448  1.0
]