data_[La2Pd2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5018]
_cell_length_b [5.5774]
_cell_length_c [7.3323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0137]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaPdAu3]
_chemical_formula_sum '[La2 Pd2 Au6]'
_cell_volume [212.7227]
_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  0.2405  0.2500  0.1653  1.0
  Pd  Pd1  2  0.3666  0.7500  0.0414  1.0
  Au  Au2  4  0.1916  0.0056  0.6944  1.0
  Au  Au3  2  0.3314  0.7500  0.4012  1.0
]