data_[Cs18Tl9Hg3]
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
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [11.6161]
_cell_length_b [11.6161]
_cell_length_c [15.7183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Cs6Tl3Hg]
_chemical_formula_sum '[Cs18 Tl9 Hg3]'
_cell_volume [1836.7800]
_cell_formula_units_Z [3]
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  9  0.0025  0.3237  0.7498  1
  Cs  Cs1  9  0.0172  0.6677  0.9200  1
  Tl  Tl2  3  0.0000  0.0000  0.4585  1
  Tl  Tl3  3  0.0000  0.0000  0.6476  1
  Tl  Tl4  3  0.0000  0.0000  0.8452  1
  Hg  Hg5  3  0.0000  0.0000  0.0395  1
]