data_[Ac16Ag4Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [8.7992]
_cell_length_b [8.7992]
_cell_length_c [15.6193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Ac8Ag2Ir3]
_chemical_formula_sum '[Ac16 Ag4 Ir6]'
_cell_volume [1047.3243]
_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  6  0.0210  0.5105  0.3530  1
  Ac  Ac1  6  0.1603  0.3207  0.6417  1
  Ac  Ac2  2  0.0000  0.0000  0.3521  1
  Ac  Ac3  2  0.3333  0.6667  0.1521  1
  Ag  Ag4  2  0.3333  0.6667  0.5055  1
  Ag  Ag5  2  0.3333  0.6667  0.9556  1
  Ir  Ir6  6  0.1642  0.3285  0.2481  1
]