data_[Ac4Ga12Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9787]
_cell_length_b [4.2296]
_cell_length_c [7.9246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2054]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcGa3Ir2]
_chemical_formula_sum '[Ac4 Ga12 Ir8]'
_cell_volume [484.5764]
_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  0.1540  0.0000  0.0814  1
  Ga  Ga1  4  0.0320  0.0000  0.3601  1
  Ga  Ga2  4  0.1077  0.5000  0.7076  1
  Ga  Ga3  4  0.1805  0.5000  0.4411  1
  Ir  Ir4  4  0.0148  0.5000  0.1705  1
  Ir  Ir5  4  0.1836  0.0000  0.6533  1
]