data_[La12Ir8Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.8758]
_cell_length_b [5.8758]
_cell_length_c [16.5828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [La6Ir4Pd]
_chemical_formula_sum '[La12 Ir8 Pd2]'
_cell_volume [572.5135]
_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  8  0.2360  0.7640  0.6786  1
  La  La1  4  0.0000  0.5000  0.0000  1
  Ir  Ir2  8  0.2327  0.2327  0.1386  1
  Pd  Pd3  2  0.0000  0.0000  0.0000  1
]