data_GeB2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   149.68
_cell_angle_beta   147.09
_cell_angle_gamma   45.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeB2Au
_chemical_formula_sum   'Ge1 B2 Au1'
_cell_volume   57.97
_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  Ge3  1  0.0  0.0  0.21  1.0
  B  B1  1  0.0  0.0  0.55  1.0
  B  B2  1  0.56  0.0  0.09  1.0
  Au  Au0  1  0.0  0.69  0.16  1.0

data_GeB2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.38
_cell_length_c   5.96
_cell_angle_alpha   106.45
_cell_angle_beta   105.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeB2Au
_chemical_formula_sum   'Ge1 B2 Au1'
_cell_volume   57.97
_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  0.79  0.79  0.79  1.0
  B  B1  1  0.45  0.45  0.45  1.0
  B  B2  1  0.47  0.91  0.47  1.0
  Au  Au3  1  0.84  0.53  0.53  1.0

Ge B B Au
Ge B B Au 0 3 o - o 1 3 o - o 1 2 o o + 1 2 - o o 2 3 + - o 