data_[Ac16Ga4Ir2]
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 [20.0595]
_cell_length_b [4.5482]
_cell_length_c [9.2526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac8Ga2Ir]
_chemical_formula_sum '[Ac16 Ga4 Ir2]'
_cell_volume [842.3872]
_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  0.0059  0.0000  0.2091  1
  Ac  Ac1  4  0.0979  0.5000  0.5264  1
  Ac  Ac2  4  0.1499  0.5000  0.9906  1
  Ac  Ac3  4  0.2248  0.0000  0.3359  1
  Ga  Ga4  4  0.1692  0.0000  0.7350  1
  Ir  Ir5  2  0.0000  0.5000  0.0000  1
]