data_[Ac12Tl2Si4Cl6]
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
  Si  1.9000  1.1000  0.5400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6099]
_cell_length_b [4.5914]
_cell_length_c [8.9782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5096]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6TlSi2Cl3]
_chemical_formula_sum '[Ac12 Tl2 Si4 Cl6]'
_cell_volume [799.4636]
_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  0.0081  0.0000  0.2640  1
  Ac  Ac1  4  0.1691  0.5000  0.1047  1
  Ac  Ac2  4  0.1716  0.5000  0.5776  1
  Tl  Tl3  2  0.0000  0.5000  0.0000  1
  Si  Si4  4  0.1686  0.0000  0.3393  1
  Cl  Cl5  4  0.1677  0.0000  0.8361  1
  Cl  Cl6  2  0.0000  0.5000  0.5000  1
]