data_[Ac2Ga4Si2Ir2]
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
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.2403]
_cell_length_b [4.3201]
_cell_length_c [10.8934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [AcGa2SiIr]
_chemical_formula_sum '[Ac2 Ga4 Si2 Ir2]'
_cell_volume [199.5515]
_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  2  0.0000  0.0000  0.4411  1
  Ga  Ga1  2  0.0000  0.0000  0.0616  1
  Ga  Ga2  2  0.0000  0.5000  0.6925  1
  Si  Si3  2  0.0000  0.0000  0.8156  1
  Ir  Ir4  2  0.0000  0.5000  0.2013  1
]