data_[Ge4Bi4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.2803]
_cell_length_b [4.4279]
_cell_length_c [23.6017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [GeBiAu3]
_chemical_formula_sum '[Ge4 Bi4 Au12]'
_cell_volume [447.3148]
_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  0.8539  1
  Bi  Bi1  4  0.0000  0.2500  0.4423  1
  Au  Au2  4  0.0000  0.2500  0.2040  1
  Au  Au3  4  0.0000  0.2500  0.7071  1
  Au  Au4  4  0.0000  0.2500  0.9608  1
]