data_[Ac2Hf1Ge3Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Hf  1.3000  1.5500  0.8500
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3006]
_cell_length_b [4.3006]
_cell_length_c [11.0398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ac2HfGe3Ir4]
_chemical_formula_sum '[Ac2 Hf1 Ge3 Ir4]'
_cell_volume [204.1811]
_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  0.0000  0.5000  0.7586  1
  Hf  Hf1  1  0.5000  0.5000  0.5000  1
  Ge  Ge2  2  0.0000  0.5000  0.1222  1
  Ge  Ge3  1  0.0000  0.0000  0.5000  1
  Ir  Ir4  2  0.0000  0.5000  0.3568  1
  Ir  Ir5  1  0.0000  0.0000  0.0000  1
  Ir  Ir6  1  0.5000  0.5000  0.0000  1
]