data_[Ac2Tl4Hg4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6602]
_cell_length_b [4.4180]
_cell_length_c [8.3047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcTl2(HgSe2)2]
_chemical_formula_sum '[Ac2 Tl4 Hg4 Se8]'
_cell_volume [559.8309]
_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  0.1231  0.0000  0.5558  1
  Hg  Hg2  4  0.1947  0.5000  0.0321  1
  Se  Se3  4  0.0290  0.5000  0.7643  1
  Se  Se4  4  0.2018  0.0000  0.2480  1
]