data_[U4Pd8Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6659]
_cell_length_b [4.4010]
_cell_length_c [6.6613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3515]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [UPd2Au3]
_chemical_formula_sum '[U4 Pd8 Au12]'
_cell_volume [459.1357]
_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
[
  U  U0  4  0.1416  0.0000  0.7190  1
  Pd  Pd1  4  0.0377  0.5000  0.8097  1
  Pd  Pd2  4  0.2363  0.0000  0.3508  1
  Au  Au3  4  0.0723  0.0000  0.1421  1
  Au  Au4  4  0.1091  0.5000  0.4236  1
  Au  Au5  4  0.1908  0.5000  0.0422  1
]