data_[Li10Ac2Tl14]
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 [Imm2]
_cell_length_a [6.1243]
_cell_length_b [10.1450]
_cell_length_c [10.0625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Li5AcTl7]
_chemical_formula_sum '[Li10 Ac2 Tl14]'
_cell_volume [625.1910]
_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  8  0.2401  0.2524  0.2523  1
  Li  Li1  2  0.0000  0.5000  0.7338  1
  Ac  Ac2  2  0.0000  0.0000  0.9944  1
  Tl  Tl3  4  0.0000  0.3023  0.5184  1
  Tl  Tl4  4  0.0000  0.3413  0.9855  1
  Tl  Tl5  2  0.0000  0.0000  0.3368  1
  Tl  Tl6  2  0.0000  0.0000  0.6473  1
  Tl  Tl7  2  0.0000  0.5000  0.2705  1
]