data_GeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeAu2
_chemical_formula_sum   'Ge2 Au4'
_cell_volume   112.61
_cell_formula_units_Z   2
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  Ge4  1  0.0  0.74  0.45  1.0
  Ge  Ge5  1  0.37  0.37  0.34  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.0  0.0  0.89  1.0
  Au  Au2  1  0.0  0.74  0.34  1.0
  Au  Au3  1  0.37  0.37  0.45  1.0

data_GeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeAu2
_chemical_formula_sum   'Ge2 Au4'
_cell_volume   112.61
_cell_formula_units_Z   2
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  0.0  0.74  0.45  1.0
  Ge  Ge1  1  0.37  0.37  0.34  1.0
  Au  Au2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.0  0.89  1.0
  Au  Au4  1  0.0  0.74  0.34  1.0
  Au  Au5  1  0.37  0.37  0.45  1.0

Ge Ge Au Au Au Au
Ge Ge Au Au Au Au 0 4 o o o 1 5 o o o 2 3 o o - 