data_Al2SiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   5.23
_cell_length_c   4.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SiSe
_chemical_formula_sum   'Al2 Si1 Se1'
_cell_volume   74.4
_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  0.09  0.62  0.43  1.0
  Al  Al1  1  0.25  0.0  0.6  1.0
  Si  Si3  1  0.01  0.0  0.55  1.0
  Se  Se2  1  0.32  0.62  0.55  1.0

data_Al2SiSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.09
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SiSe
_chemical_formula_sum   'Al2 Si1 Se1'
_cell_volume   74.4
_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  0.75  0.4  0.0  1.0
  Al  Al1  1  0.91  0.57  0.38  1.0
  Si  Si2  1  0.99  0.45  0.0  1.0
  Se  Se3  1  0.68  0.45  0.38  1.0

Al Al Si Se