data_[Li3Ac2Al1Sn4]
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
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6294]
_cell_length_b [4.6294]
_cell_length_c [11.5417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Li3Ac2AlSn4]
_chemical_formula_sum '[Li3 Ac2 Al1 Sn4]'
_cell_volume [247.3538]
_cell_formula_units_Z [1]
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  2  0.0000  0.5000  0.1295  1
  Li  Li1  1  0.0000  0.0000  0.5000  1
  Ac  Ac2  2  0.0000  0.5000  0.7552  1
  Al  Al3  1  0.5000  0.5000  0.5000  1
  Sn  Sn4  2  0.0000  0.5000  0.3598  1
  Sn  Sn5  1  0.0000  0.0000  0.0000  1
  Sn  Sn6  1  0.5000  0.5000  0.0000  1
]