data_[Ac2Tl4Hg4S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3473]
_cell_length_b [4.2750]
_cell_length_c [8.0208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2488]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcTl2(HgS2)2]
_chemical_formula_sum '[Ac2 Tl4 Hg4 S8]'
_cell_volume [515.0142]
_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  2  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.1241  0.0000  0.5563  1
  Hg  Hg2  4  0.1941  0.5000  0.0358  1
  S  S3  4  0.0325  0.5000  0.7737  1
  S  S4  4  0.1967  0.0000  0.2420  1
]