data_[Ac20In4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.3740]
_cell_length_b [8.3740]
_cell_length_c [15.6262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Ac5InSi2]
_chemical_formula_sum '[Ac20 In4 Si8]'
_cell_volume [1095.7806]
_cell_formula_units_Z [4]
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  16  0.1747  0.3253  0.3607  1
  Ac  Ac1  4  0.0000  0.0000  0.0000  1
  In  In2  4  0.0000  0.0000  0.2500  1
  Si  Si3  8  0.1143  0.3857  0.0000  1
]