data_AlGe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.35
_cell_angle_alpha   103.04
_cell_angle_beta   103.04
_cell_angle_gamma   35.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGe2Sb
_chemical_formula_sum   'Al1 Ge2 Sb1'
_cell_volume   83.89
_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  0.2  0.0  0.2  1.0
  Ge  Ge1  1  0.02  0.0  0.02  1.0
  Ge  Ge2  1  0.62  0.0  0.01  1.0
  Sb  Sb3  1  0.38  0.0  0.57  1.0

data_AlGe2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.29
_cell_length_c   5.35
_cell_angle_alpha   103.04
_cell_angle_beta   90.0
_cell_angle_gamma   107.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGe2Sb
_chemical_formula_sum   'Al1 Ge2 Sb1'
_cell_volume   83.89
_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  0.8  0.8  1.0
  Ge  Ge1  1  0.0  0.38  0.99  1.0
  Ge  Ge2  1  0.0  0.98  0.98  1.0
  Sb  Sb3  1  0.0  0.62  0.43  1.0

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