data_[In2Ag1Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.6749]
_cell_length_b [4.5329]
_cell_length_c [5.5387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In2AgAu]
_chemical_formula_sum '[In2 Ag1 Au1]'
_cell_volume [87.9018]
_cell_formula_units_Z [1]
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  1  0.1078  0.0000  0.0791  1.0
  In  In1  1  0.3928  0.5000  0.6695  1.0
  Ag  Ag2  1  0.8408  0.0000  0.5440  1.0
  Au  Au3  1  0.6585  0.5000  0.2074  1.0
]