data_[Ac16Sb4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sb  2.0500  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.6896]
_cell_length_b [7.3825]
_cell_length_c [7.9479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4147]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ac4SbIr]
_chemical_formula_sum '[Ac16 Sb4 Ir4]'
_cell_volume [934.3789]
_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  8  0.0940  0.4223  0.9596  1
  Ac  Ac1  8  0.1675  0.0618  0.6534  1
  Sb  Sb2  4  0.0000  0.1747  0.2500  1
  Ir  Ir3  4  0.2500  0.2500  0.0000  1
]