data_[In2Sn2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3739]
_cell_length_b [5.5252]
_cell_length_c [7.0209]
_cell_angle_alpha [77.3967]
_cell_angle_beta [72.9072]
_cell_angle_gamma [67.3760]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [InSnAu]
_chemical_formula_sum '[In2 Sn2 Au2]'
_cell_volume [148.6294]
_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  0.4114  0.8044  0.3734  1.0
  Sn  Sn1  2  0.1942  0.7316  0.9280  1.0
  Au  Au2  2  0.1201  0.3962  0.3121  1.0
]