data_[In8Pd4Au12]
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 [C2/m]
_cell_length_a [13.7200]
_cell_length_b [3.6598]
_cell_length_c [10.1421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6268]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2PdAu3]
_chemical_formula_sum '[In8 Pd4 Au12]'
_cell_volume [466.5734]
_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  0.0020  0.5000  0.8434  1.0
  In  In1  4  0.2124  0.0000  0.8650  1.0
  Pd  Pd2  4  0.1181  0.0000  0.0651  1.0
  Au  Au3  4  0.0696  0.0000  0.3981  1.0
  Au  Au4  4  0.1086  0.5000  0.6354  1.0
  Au  Au5  4  0.2195  0.5000  0.3641  1.0
]