data_[Lu4Pd16Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4930]
_cell_length_b [7.4930]
_cell_length_c [7.4930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [LuPd4Au]
_chemical_formula_sum '[Lu4 Pd16 Au4]'
_cell_volume [420.7019]
_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
[
  Lu  Lu0  4  0.2500  0.2500  0.7500  1
  Pd  Pd1  16  0.1252  0.1252  0.3748  1
  Au  Au2  4  0.0000  0.0000  0.0000  1
]