data_[Ac3Tl9Hg18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [14.4151]
_cell_length_b [14.4151]
_cell_length_c [5.4851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ac(TlHg2)3]
_chemical_formula_sum '[Ac3 Tl9 Hg18]'
_cell_volume [987.0658]
_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
[
  Ac  Ac0  3  0.0000  0.0000  0.1359  1
  Tl  Tl1  9  0.0674  0.5337  0.9683  1
  Hg  Hg2  9  0.1567  0.0783  0.6382  1
  Hg  Hg3  9  0.1915  0.8085  0.7946  1
]