data_[Li4Ac10Tl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5852]
_cell_length_b [5.1649]
_cell_length_c [10.8322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.7708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2(AcTl)5]
_chemical_formula_sum '[Li4 Ac10 Tl10]'
_cell_volume [777.6983]
_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
[
  Li  Li0  4  0.1532  0.0000  0.6646  1
  Ac  Ac1  4  0.1421  0.5000  0.9594  1
  Ac  Ac2  4  0.1519  0.5000  0.3310  1
  Ac  Ac3  2  0.0000  0.5000  0.5000  1
  Tl  Tl4  4  0.0080  0.0000  0.3053  1
  Tl  Tl5  4  0.2486  0.0000  0.2446  1
  Tl  Tl6  2  0.0000  0.0000  0.0000  1
]