data_[Cs2Tl2Hg16Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1155]
_cell_length_b [6.5156]
_cell_length_c [11.6165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsTl(Hg4Au)2]
_chemical_formula_sum '[Cs2 Tl2 Hg16 Au4]'
_cell_volume [734.4025]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  8  0.1674  0.2548  0.2443  1.0
  Hg  Hg3  4  0.1574  0.5000  0.5017  1.0
  Hg  Hg4  4  0.1665  0.5000  0.9955  1.0
  Au  Au5  4  0.0763  0.5000  0.7328  1.0
]