data_Al2GeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.53
_cell_angle_alpha   102.01
_cell_angle_beta   102.01
_cell_angle_gamma   37.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2GeSb
_chemical_formula_sum   'Al2 Ge1 Sb1'
_cell_volume   82.75
_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
  Al  Al0  1  0.19  0.0  0.24  1.0
  Al  Al1  1  0.49  0.0  0.99  1.0
  Ge  Ge2  1  0.2  0.0  1.0  1.0
  Sb  Sb3  1  0.76  0.0  0.26  1.0

data_Al2GeSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.01
_cell_length_c   5.53
_cell_angle_alpha   102.01
_cell_angle_beta   90.0
_cell_angle_gamma   108.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2GeSb
_chemical_formula_sum   'Al2 Ge1 Sb1'
_cell_volume   82.75
_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
  Al  Al0  1  0.0  0.51  0.01  1.0
  Al  Al1  1  0.0  0.81  0.76  1.0
  Ge  Ge2  1  0.0  0.8  0.0  1.0
  Sb  Sb3  1  0.0  0.24  0.74  1.0

Al Al Ge Sb
Al Al Ge Sb 0 2 o o - 1 2 o o o 1 3 o o + 