data_[Ac6Ni36Ge9Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8248]
_cell_length_b [7.8248]
_cell_length_c [18.8240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2Ni12Ge3Ir]
_chemical_formula_sum '[Ac6 Ni36 Ge9 Ir3]'
_cell_volume [998.1330]
_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  6  0.0000  0.0000  0.3909  1
  Ni  Ni1  18  0.0125  0.5062  0.6263  1
  Ni  Ni2  18  0.1105  0.2210  0.2336  1
  Ge  Ge3  9  0.0000  0.5000  0.5000  1
  Ir  Ir4  3  0.0000  0.0000  0.0000  1
]