data_Al2SiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   4.26
_cell_angle_alpha   102.76
_cell_angle_beta   102.76
_cell_angle_gamma   32.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SiSe
_chemical_formula_sum   'Al2 Si1 Se1'
_cell_volume   75.09
_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  0.59  0.0  0.21  1.0
  Al  Al1  1  0.61  0.0  0.93  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.1  0.0  0.07  1.0

data_Al2SiSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.26
_cell_length_c   5.82
_cell_angle_alpha   102.76
_cell_angle_beta   106.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SiSe
_chemical_formula_sum   'Al2 Si1 Se1'
_cell_volume   75.09
_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  0.21  0.59  1.0
  Al  Al1  1  0.0  0.93  0.61  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.07  0.1  1.0

Al Al Si Se