data_[Ac4Tl12Hg8]
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 [C2/m]
_cell_length_a [16.5845]
_cell_length_b [5.4656]
_cell_length_c [9.3641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcTl3Hg2]
_chemical_formula_sum '[Ac4 Tl12 Hg8]'
_cell_volume [722.4135]
_cell_formula_units_Z [4]
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  0.1387  0.0000  0.1310  1
  Tl  Tl1  4  0.0039  0.0000  0.6728  1
  Tl  Tl2  4  0.1147  0.5000  0.6211  1
  Tl  Tl3  4  0.2396  0.0000  0.5772  1
  Hg  Hg4  4  0.0120  0.5000  0.1712  1
  Hg  Hg5  4  0.2430  0.5000  0.0739  1
]