data_[U4Pt20Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.8270]
_cell_length_b [7.8498]
_cell_length_c [12.1677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [UPt5Au2]
_chemical_formula_sum '[U4 Pt20 Au8]'
_cell_volume [556.5584]
_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  0.0000  0.0000  0.0000  1
  Pt  Pt1  16  0.2500  0.2500  0.1243  1
  Pt  Pt2  4  0.0000  0.0000  0.5000  1
  Au  Au3  8  0.0000  0.0000  0.2570  1
]