data_[Ac1Al1Sn2]
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 [P1]
_cell_length_a [4.5724]
_cell_length_b [4.7901]
_cell_length_c [6.2835]
_cell_angle_alpha [110.6582]
_cell_angle_beta [109.6230]
_cell_angle_gamma [90.4148]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AcAlSn2]
_chemical_formula_sum '[Ac1 Al1 Sn2]'
_cell_volume [120.0523]
_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  0.9937  0.3651  0.2709  1
  Al  Al1  1  0.1966  0.1288  0.7596  1
  Sn  Sn2  1  0.5104  0.7014  0.9097  1
  Sn  Sn3  1  0.5769  0.9428  0.4725  1
]