data_Ge2AuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   144.34
_cell_angle_beta   144.34
_cell_angle_gamma   51.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2AuBr
_chemical_formula_sum   'Ge2 Au1 Br1'
_cell_volume   91.6
_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  Ge2  1  0.0  0.98  0.92  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.98  0.0  0.92  1.0
  Br  Br1  1  0.0  0.0  0.83  1.0

data_Ge2AuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   6.47
_cell_angle_alpha   107.83
_cell_angle_beta   107.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2AuBr
_chemical_formula_sum   'Ge2 Au1 Br1'
_cell_volume   91.6
_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  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.06  0.98  0.06  1.0
  Au  Au2  1  0.08  0.0  0.06  1.0
  Br  Br3  1  0.17  0.0  0.17  1.0

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