data_[Ge5Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.8618]
_cell_length_b [15.0000]
_cell_length_c [12.5025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ge5Au4]
_chemical_formula_sum '[Ge5 Au4]'
_cell_volume [894.7261]
_cell_formula_units_Z [1]
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  1  0.1918  0.5000  0.5121  1
  Ge  Ge1  1  0.2214  0.5000  0.2911  1
  Ge  Ge2  1  0.2320  0.5000  0.9329  1
  Ge  Ge3  1  0.7893  0.5000  0.7979  1
  Ge  Ge4  1  0.9825  0.5000  0.0857  1
  Au  Au5  1  0.2643  0.5000  0.7222  1
  Au  Au6  1  0.5235  0.5000  0.1357  1
  Au  Au7  1  0.7158  0.5000  0.5880  1
  Au  Au8  1  0.7461  0.5000  0.3630  1
]