data_[La2Al2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2388]
_cell_length_b [3.0179]
_cell_length_c [5.8280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0322]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaAlIr2]
_chemical_formula_sum '[La2 Al2 Ir4]'
_cell_volume [160.0083]
_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
[
  La  La0  2  0.0095  0.5000  0.5299  1
  Al  Al1  2  0.2133  0.5000  0.1045  1
  Ir  Ir2  2  0.2851  0.0000  0.7949  1
  Ir  Ir3  2  0.4922  0.5000  0.0708  1
]