data_[In4Ga16Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1367]
_cell_length_b [5.6409]
_cell_length_c [6.4334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InGa4Au]
_chemical_formula_sum '[In4 Ga16 Au4]'
_cell_volume [486.2330]
_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  0.1919  0.0000  0.3291  1.0
  Ga  Ga1  8  0.0931  0.2388  0.6869  1.0
  Ga  Ga2  4  0.0000  0.2398  0.0000  1.0
  Ga  Ga3  4  0.2192  0.5000  0.0580  1.0
  Au  Au4  4  0.1135  0.5000  0.3474  1.0
]