data_[Tl6Cd36Hg15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.6295]
_cell_length_b [10.6295]
_cell_length_c [14.7376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl2Cd12Hg5]
_chemical_formula_sum '[Tl6 Cd36 Hg15]'
_cell_volume [1442.0694]
_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
[
  Tl  Tl0  6  0.0000  0.0000  0.3400  1
  Cd  Cd1  18  0.0000  0.3022  0.0000  1
  Cd  Cd2  18  0.0189  0.5094  0.1482  1
  Hg  Hg3  9  0.0000  0.5000  0.5000  1
  Hg  Hg4  6  0.0000  0.0000  0.1064  1
]