data_[Ac4Al2In2Si2]
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
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7426]
_cell_length_b [4.5960]
_cell_length_c [9.4768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9355]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac2AlInSi]
_chemical_formula_sum '[Ac4 Al2 In2 Si2]'
_cell_volume [324.2686]
_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
[
  Ac  Ac0  2  0.1947  0.7500  0.4058  1
  Ac  Ac1  2  0.2480  0.7500  0.9694  1
  Al  Al2  2  0.4710  0.2500  0.2665  1
  In  In3  2  0.3220  0.2500  0.6966  1
  Si  Si4  2  0.1523  0.2500  0.1695  1
]