data_[Ac8Ga12Ir16]
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 [Cmce]
_cell_length_a [5.8439]
_cell_length_b [16.0487]
_cell_length_c [7.4702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ac2Ga3Ir4]
_chemical_formula_sum '[Ac8 Ga12 Ir16]'
_cell_volume [700.6072]
_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  8  0.0000  0.1071  0.4108  1
  Ga  Ga1  8  0.2500  0.2287  0.7500  1
  Ga  Ga2  4  0.0000  0.0000  0.0000  1
  Ir  Ir3  8  0.0000  0.1802  0.0186  1
  Ir  Ir4  8  0.2500  0.0685  0.7500  1
]