data_[La16Ir4Pd4]
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 [C2/c]
_cell_length_a [8.6595]
_cell_length_b [15.3846]
_cell_length_c [7.2420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.4394]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4IrPd]
_chemical_formula_sum '[La16 Ir4 Pd4]'
_cell_volume [776.1680]
_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
[
  La  La0  8  0.2286  0.7903  0.2333  1.0
  La  La1  8  0.2429  0.0436  0.2442  1.0
  Ir  Ir2  4  0.0000  0.0871  0.7500  1.0
  Pd  Pd3  4  0.0000  0.4045  0.2500  1.0
]