data_[Ge4Sb4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.2264]
_cell_length_b [4.3247]
_cell_length_c [24.3785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [GeSbAu3]
_chemical_formula_sum '[Ge4 Sb4 Au12]'
_cell_volume [445.5870]
_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
[
  Ge  Ge0  4  0.0000  0.2500  0.8537  1.0
  Sb  Sb1  4  0.0000  0.2500  0.4503  1.0
  Au  Au2  4  0.0000  0.2500  0.2035  1.0
  Au  Au3  4  0.0000  0.2500  0.7080  1.0
  Au  Au4  4  0.0000  0.2500  0.9587  1.0
]