data_[In4Pd4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1506]
_cell_length_b [21.9750]
_cell_length_c [3.9552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [InPdAu3]
_chemical_formula_sum '[In4 Pd4 Au12]'
_cell_volume [360.7524]
_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
[
  In  In0  4  0.0000  0.3483  0.7500  1
  Pd  Pd1  4  0.0000  0.1469  0.7500  1
  Au  Au2  4  0.0000  0.0484  0.2500  1
  Au  Au3  4  0.0000  0.2490  0.2500  1
  Au  Au4  4  0.0000  0.4476  0.2500  1
]