data_[Ac4Ag5Ir2]
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 [P2/m]
_cell_length_a [7.6987]
_cell_length_b [4.1507]
_cell_length_c [9.3615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3128]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac4Ag5Ir2]
_chemical_formula_sum '[Ac4 Ag5 Ir2]'
_cell_volume [298.6492]
_cell_formula_units_Z [1]
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  0.1961  0.5000  0.8564  1
  Ac  Ac1  2  0.2284  0.5000  0.4280  1
  Ag  Ag2  2  0.1878  0.0000  0.1451  1
  Ag  Ag3  2  0.4515  0.0000  0.6748  1
  Ag  Ag4  1  0.5000  0.0000  0.0000  1
  Ir  Ir5  2  0.0673  0.0000  0.6477  1
]