data_[Ac12Ir2Au4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2635]
_cell_length_b [7.9522]
_cell_length_c [13.0088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ac6IrAu2N]
_chemical_formula_sum '[Ac12 Ir2 Au4 N2]'
_cell_volume [636.1855]
_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  4  0.1136  0.7053  0.4439  1
  Ac  Ac1  4  0.2434  0.1792  0.4349  1
  Ac  Ac2  4  0.3690  0.5313  0.2405  1
  Ir  Ir3  2  0.5000  0.0000  0.0000  1
  Au  Au4  4  0.1854  0.5978  0.7356  1
  N  N5  2  0.0000  0.0000  0.5000  1
]