data_Al2GeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   4.92
_cell_angle_alpha   113.28
_cell_angle_beta   113.28
_cell_angle_gamma   27.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2GeSe
_chemical_formula_sum   'Al2 Ge1 Se1'
_cell_volume   77.87
_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  0.81  0.0  0.3  1.0
  Al  Al1  1  0.55  0.0  0.49  1.0
  Ge  Ge2  1  0.39  0.0  0.39  1.0
  Se  Se3  1  0.22  0.0  0.07  1.0

data_Al2GeSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.92
_cell_length_c   6.17
_cell_angle_alpha   113.28
_cell_angle_beta   103.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2GeSe
_chemical_formula_sum   'Al2 Ge1 Se1'
_cell_volume   77.87
_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  0.3  0.81  1.0
  Al  Al1  1  0.0  0.49  0.55  1.0
  Ge  Ge2  1  0.0  0.39  0.39  1.0
  Se  Se3  1  0.0  0.07  0.22  1.0

Al Al Ge Se