data_[Ac4Al4B4Ir12]
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
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.9170]
_cell_length_b [12.4708]
_cell_length_c [5.9041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [AcAlBIr3]
_chemical_formula_sum '[Ac4 Al4 B4 Ir12]'
_cell_volume [435.6597]
_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  4  0.0000  0.2558  0.7500  1
  Al  Al1  4  0.0000  0.3862  0.2500  1
  B  B2  4  0.0000  0.0194  0.2500  1
  Ir  Ir3  8  0.2468  0.0000  0.0000  1
  Ir  Ir4  4  0.0000  0.1908  0.2500  1
]