data_[In12Pd4Au4]
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 [P2_1/c]
_cell_length_a [9.5300]
_cell_length_b [5.4526]
_cell_length_c [10.6615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [In3PdAu]
_chemical_formula_sum '[In12 Pd4 Au4]'
_cell_volume [466.6579]
_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  0.0180  0.5064  0.8415  1
  In  In1  4  0.3436  0.6337  0.6510  1
  In  In2  4  0.3772  0.2254  0.4480  1
  Pd  Pd3  4  0.2774  0.7248  0.3656  1
  Au  Au4  4  0.2655  0.1389  0.6481  1
]