data_[Ac12As2Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  As  2.1800  1.1500  0.6600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.5948]
_cell_length_b [4.4184]
_cell_length_c [12.6208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac6AsIr3]
_chemical_formula_sum '[Ac12 As2 Ir6]'
_cell_volume [665.7660]
_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  0.0760  0.7500  0.9076  1
  Ac  Ac1  2  0.1257  0.2500  0.4612  1
  Ac  Ac2  2  0.2118  0.7500  0.2417  1
  Ac  Ac3  2  0.2784  0.7500  0.7378  1
  Ac  Ac4  2  0.3938  0.2500  0.0586  1
  Ac  Ac5  2  0.4619  0.2500  0.6072  1
  As  As6  2  0.0524  0.2500  0.6876  1
  Ir  Ir7  2  0.1558  0.2500  0.0819  1
  Ir  Ir8  2  0.3075  0.7500  0.5034  1
  Ir  Ir9  2  0.4447  0.2500  0.8351  1
]