data_[Ac6La4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4413]
_cell_length_b [4.0790]
_cell_length_c [8.9805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3(LaIr)2]
_chemical_formula_sum '[Ac6 La4 Ir4]'
_cell_volume [471.8547]
_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  0.1271  0.5000  0.4232  1
  La  La1  4  0.1822  0.0000  0.8187  1
  Ac  Ac2  2  0.0000  0.5000  0.0000  1
  Ir  Ir3  4  0.1677  0.0000  0.1729  1
]