data_[Ac20Ag8Ir4N4]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3215]
_cell_length_b [19.2245]
_cell_length_c [14.2137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ac5Ag2IrN]
_chemical_formula_sum '[Ac20 Ag8 Ir4 N4]'
_cell_volume [1180.8389]
_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  0.0447  0.0117  1
  Ac  Ac1  4  0.0000  0.2875  0.6710  1
  Ac  Ac2  4  0.0000  0.3156  0.3857  1
  Ac  Ac3  4  0.0000  0.3543  0.0090  1
  Ac  Ac4  4  0.0000  0.4971  0.7785  1
  Ag  Ag5  4  0.0000  0.1113  0.6856  1
  Ag  Ag6  4  0.0000  0.1302  0.3283  1
  Ir  Ir7  4  0.0000  0.2045  0.0297  1
  N  N8  4  0.0000  0.4453  0.4246  1
]