data_[Sb16As8Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.1843]
_cell_length_b [11.5375]
_cell_length_c [8.8945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.5774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sb4As2Au3]
_chemical_formula_sum '[Sb16 As8 Au12]'
_cell_volume [977.4819]
_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
[
  Sb  Sb0  8  0.0908  0.1022  0.1551  1
  Sb  Sb1  8  0.1807  0.3751  0.8679  1
  As  As2  8  0.2024  0.3030  0.3485  1
  Au  Au3  8  0.1213  0.1419  0.7358  1
  Au  Au4  4  0.0000  0.4383  0.2500  1
]