data_[Ac12Si2Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.4024]
_cell_length_b [4.4500]
_cell_length_c [12.6430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac6SiIr3]
_chemical_formula_sum '[Ac12 Si2 Ir6]'
_cell_volume [661.0180]
_cell_formula_units_Z [2]
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  2  0.0772  0.7500  0.9081  1
  Ac  Ac1  2  0.1205  0.2500  0.4636  1
  Ac  Ac2  2  0.2029  0.7500  0.2442  1
  Ac  Ac3  2  0.2736  0.7500  0.7361  1
  Ac  Ac4  2  0.3958  0.2500  0.0609  1
  Ac  Ac5  2  0.4627  0.2500  0.6079  1
  Si  Si6  2  0.0474  0.2500  0.6947  1
  Ir  Ir7  2  0.1574  0.2500  0.0837  1
  Ir  Ir8  2  0.3087  0.7500  0.5031  1
  Ir  Ir9  2  0.4422  0.2500  0.8355  1
]