data_[Li6Ac6In16]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9514]
_cell_length_b [10.6516]
_cell_length_c [14.4107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li3Ac3In8]
_chemical_formula_sum '[Li6 Ac6 In16]'
_cell_volume [760.0276]
_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  0.0000  0.1912  0.0000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Ac  Ac2  4  0.0000  0.0000  0.2029  1
  Ac  Ac3  2  0.0000  0.0000  0.5000  1
  In  In4  8  0.0000  0.2902  0.3668  1
  In  In5  8  0.0000  0.3612  0.1536  1
]