data_[Ac4Al1Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pmm2]
_cell_length_a [4.5863]
_cell_length_b [4.7992]
_cell_length_c [18.5502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ac4AlSn8]
_chemical_formula_sum '[Ac4 Al1 Sn8]'
_cell_volume [408.3005]
_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
[
  Ac  Ac0  1  0.0000  0.0000  0.0945  1
  Ac  Ac1  1  0.0000  0.5000  0.6058  1
  Ac  Ac2  1  0.5000  0.0000  0.8905  1
  Ac  Ac3  1  0.5000  0.5000  0.3955  1
  Al  Al4  1  0.0000  0.0000  0.3230  1
  Sn  Sn5  1  0.0000  0.0000  0.4667  1
  Sn  Sn6  1  0.0000  0.0000  0.7428  1
  Sn  Sn7  1  0.0000  0.5000  0.2391  1
  Sn  Sn8  1  0.0000  0.5000  0.9390  1
  Sn  Sn9  1  0.5000  0.0000  0.2380  1
  Sn  Sn10  1  0.5000  0.0000  0.5722  1
  Sn  Sn11  1  0.5000  0.5000  0.0435  1
  Sn  Sn12  1  0.5000  0.5000  0.7525  1
]