data_[Ac18Ir3Rh6N3]
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
  Rh  2.2800  1.3500  0.7450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.3162]
_cell_length_b [7.3162]
_cell_length_c [20.3151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ac6IrRh2N]
_chemical_formula_sum '[Ac18 Ir3 Rh6 N3]'
_cell_volume [941.7267]
_cell_formula_units_Z [3]
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  9  0.0098  0.7007  0.4128  1
  Ac  Ac1  9  0.0314  0.3465  0.9176  1
  Ir  Ir2  3  0.0000  0.0000  0.8269  1
  Rh  Rh3  3  0.0000  0.0000  0.0040  1
  Rh  Rh4  3  0.0000  0.0000  0.5130  1
  N  N5  3  0.0000  0.0000  0.3207  1
]