data_[Ac8Sn16Ir8]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7880]
_cell_length_b [9.8376]
_cell_length_c [17.6617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [AcSn2Ir]
_chemical_formula_sum '[Ac8 Sn16 Ir8]'
_cell_volume [831.9145]
_cell_formula_units_Z [8]
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  4  0.0000  0.0000  0.2914  1
  Ac  Ac1  4  0.0000  0.2388  0.5000  1
  Sn  Sn2  8  0.0000  0.3401  0.3027  1
  Sn  Sn3  4  0.0000  0.0000  0.0842  1
  Sn  Sn4  4  0.0000  0.5000  0.0806  1
  Ir  Ir5  8  0.0000  0.2507  0.1475  1
]