data_[Ac6Tl4Hg18]
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 [Immm]
_cell_length_a [5.1184]
_cell_length_b [10.3838]
_cell_length_c [14.8890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac3Tl2Hg9]
_chemical_formula_sum '[Ac6 Tl4 Hg18]'
_cell_volume [791.3257]
_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
[
  Ac  Ac0  4  0.0000  0.0000  0.2927  1
  Ac  Ac1  2  0.0000  0.0000  0.0000  1
  Tl  Tl2  4  0.0000  0.1793  0.5000  1
  Hg  Hg3  8  0.0000  0.2814  0.1483  1
  Hg  Hg4  8  0.0000  0.3638  0.3451  1
  Hg  Hg5  2  0.0000  0.5000  0.0000  1
]