data_[Li4Ac8Sn20]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [9.8440]
_cell_length_b [10.0244]
_cell_length_c [9.5548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [LiAc2Sn5]
_chemical_formula_sum '[Li4 Ac8 Sn20]'
_cell_volume [942.8690]
_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
[
  Li  Li0  4  0.0000  0.0000  0.2177  1
  Ac  Ac1  8  0.2500  0.2500  0.2256  1
  Sn  Sn2  8  0.0000  0.2145  0.4700  1
  Sn  Sn3  8  0.2445  0.0000  0.9783  1
  Sn  Sn4  4  0.0000  0.0000  0.7148  1
]