data_[In4Sn4Au4]
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 [Cm]
_cell_length_a [10.2461]
_cell_length_b [4.3265]
_cell_length_c [7.9429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2120]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InSnAu]
_chemical_formula_sum '[In4 Sn4 Au4]'
_cell_volume [294.5901]
_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  2  0.3149  0.0000  0.8914  1.0
  In  In1  2  0.3891  0.5000  0.5832  1.0
  Sn  Sn2  2  0.0634  0.0000  0.3332  1.0
  Sn  Sn3  2  0.1437  0.5000  0.0153  1.0
  Au  Au4  2  0.1285  0.5000  0.6374  1.0
  Au  Au5  2  0.3210  0.0000  0.2682  1.0
]