data_[Ac16Sn4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [9.9704]
_cell_length_b [9.9704]
_cell_length_c [9.7914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Ac4SnRu2]
_chemical_formula_sum '[Ac16 Sn4 Ru8]'
_cell_volume [973.3580]
_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  0.0000  0.1815  0.3368  1
  Sn  Sn1  4  0.0000  0.0000  0.0000  1
  Ru  Ru2  8  0.0000  0.2500  0.6250  1
]