data_Ag2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.51
_cell_length_b   9.51
_cell_length_c   9.51
_cell_angle_alpha   162.46
_cell_angle_beta   152.64
_cell_angle_gamma   32.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2Ge
_chemical_formula_sum   'Ag4 Ge2'
_cell_volume   119.02
_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
  Ag  Ag0  1  0.45  0.88  0.41  1.0
  Ag  Ag1  1  0.0  0.37  0.72  1.0
  Ag  Ag2  1  0.45  0.88  0.72  1.0
  Ag  Ag3  1  0.0  0.37  0.41  1.0
  Ge  Ge4  1  0.0  0.12  0.08  1.0
  Ge  Ge5  1  0.45  0.12  0.04  1.0

data_Ag2Ge
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.9
_cell_length_b   4.5
_cell_length_c   9.51
_cell_angle_alpha   103.68
_cell_angle_beta   98.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ag2Ge
_chemical_formula_sum   'Ag4 Ge2'
_cell_volume   119.02
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ag  Ag0  2  0.25  0.6  0.82  1.0
  Ag  Ag1  2  0.25  0.91  0.13  1.0
  Ge  Ge2  2  0.5  0.48  0.25  1.0

Ag Ag Ag Ag Ge Ge
Ag Ag Ag Ag Ge Ge 0 3 o o - 0 3 o + o 0 3 + o o 0 3 + + + 0 1 o o - 0 4 o + o 0 4 + + + 0 0 o + + 0 2 o o o 1 2 - - - 1 2 - o o 1 2 o - o 1 2 o o + 1 5 - o o 1 5 o o + 1 1 o + + 1 3 o o o 2 5 o + + 3 4 o o o 