data_[In2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.7354]
_cell_length_b [5.0151]
_cell_length_c [5.4129]
_cell_angle_alpha [76.7852]
_cell_angle_beta [72.2405]
_cell_angle_gamma [69.6474]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [InAu]
_chemical_formula_sum '[In2 Au2]'
_cell_volume [89.6861]
_cell_formula_units_Z [2]
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  2  0.0602  0.1865  0.1876  1.0
  Au  Au1  2  0.3066  0.2708  0.6272  1.0
]