data_Ag2GeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99
_cell_length_b   8.99
_cell_length_c   8.99
_cell_angle_alpha   21.24
_cell_angle_beta   21.24
_cell_angle_gamma   21.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2GeSb
_chemical_formula_sum   'Ag2 Ge1 Sb1'
_cell_volume   83.61
_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
  Ag  Ag0  1  0.0  0.0  0.61  1.0
  Ag  Ag1  1  0.0  0.0  0.75  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.18  1.0

data_Ag2GeSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.74
_cell_length_b   3.31
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   102.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag2GeSb
_chemical_formula_sum   'Ag4 Ge2 Sb2'
_cell_volume   167.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.25  1.0
  Ag  Ag1  2  0.0  0.0  0.39  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  0.0  0.0  0.82  1.0

Ag Ag Ge Sb
Ag Ag Ge Sb 0 1 o o o 2 3 o o o 