data_Al2SbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   5.47
_cell_length_c   4.11
_cell_angle_alpha   90.0
_cell_angle_beta   92.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SbSe
_chemical_formula_sum   'Al2 Sb1 Se1'
_cell_volume   90.2
_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  0.57  0.73  0.4  1.0
  Al  Al1  1  0.21  0.0  0.9  1.0
  Sb  Sb2  1  0.52  0.73  0.39  1.0
  Se  Se3  1  0.49  0.0  0.47  1.0

data_Al2SbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.11
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SbSe
_chemical_formula_sum   'Al2 Sb1 Se1'
_cell_volume   90.2
_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  0.43  0.6  0.27  1.0
  Al  Al1  1  0.79  0.1  0.0  1.0
  Sb  Sb2  1  0.48  0.61  0.27  1.0
  Se  Se3  1  0.51  0.53  0.0  1.0

Al Al Sb Se
Al Al Sb Se 0 2 o o o 0 3 o + o 1 3 o o o 1 3 o o + 2 3 o + o 