data_Al2SiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   4.87
_cell_angle_alpha   99.68
_cell_angle_beta   99.68
_cell_angle_gamma   33.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SiGe
_chemical_formula_sum   'Al2 Si1 Ge1'
_cell_volume   66.89
_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  0.83  0.0  0.75  1.0
  Al  Al1  1  0.03  0.0  0.2  1.0
  Si  Si3  1  0.81  0.0  0.65  1.0
  Ge  Ge2  1  0.42  0.0  0.38  1.0

data_Al2SiGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.87
_cell_length_c   5.05
_cell_angle_alpha   99.68
_cell_angle_beta   106.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SiGe
_chemical_formula_sum   'Al2 Si1 Ge1'
_cell_volume   66.89
_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  0.2  0.03  1.0
  Al  Al1  1  0.0  0.75  0.83  1.0
  Si  Si2  1  0.0  0.65  0.81  1.0
  Ge  Ge3  1  0.0  0.38  0.42  1.0

Al Al Si Ge