data_GeAu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   7.56
_cell_angle_alpha   121.13
_cell_angle_beta   121.13
_cell_angle_gamma   46.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeAu2Cl
_chemical_formula_sum   'Ge1 Au2 Cl1'
_cell_volume   96.92
_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  0.58  0.0  0.89  1.0
  Au  Au0  1  0.09  0.0  0.18  1.0
  Au  Au1  1  0.89  0.0  0.13  1.0
  Cl  Cl2  1  0.14  0.0  0.17  1.0

data_GeAu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.64
_cell_length_c   6.51
_cell_angle_alpha   83.59
_cell_angle_beta   73.81
_cell_angle_gamma   66.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeAu2Cl
_chemical_formula_sum   'Ge1 Au2 Cl1'
_cell_volume   96.92
_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  0.68  0.89  1.0
  Au  Au1  1  0.0  0.75  0.13  1.0
  Au  Au2  1  0.0  0.91  0.18  1.0
  Cl  Cl3  1  0.0  0.96  0.17  1.0

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