data_Al2GeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   141.13
_cell_angle_beta   132.49
_cell_angle_gamma   63.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2GeSb
_chemical_formula_sum   'Al2 Ge1 Sb1'
_cell_volume   82.18
_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  0.0  0.16  1.0
  Al  Al1  1  0.88  0.0  0.45  1.0
  Ge  Ge2  1  0.0  0.0  0.62  1.0
  Sb  Sb3  1  0.0  0.27  0.39  1.0

data_Al2GeSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.55
_cell_length_c   5.64
_cell_angle_alpha   113.75
_cell_angle_beta   109.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2GeSb
_chemical_formula_sum   'Al2 Ge1 Sb1'
_cell_volume   82.18
_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  0.43  0.55  0.43  1.0
  Al  Al1  1  0.84  0.84  0.84  1.0
  Ge  Ge2  1  0.38  0.38  0.38  1.0
  Sb  Sb3  1  0.61  0.89  0.89  1.0

Al Al Ge Sb