data_Al2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   7.35
_cell_angle_alpha   124.37
_cell_angle_beta   124.37
_cell_angle_gamma   36.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Se
_chemical_formula_sum   'Al4 Se2'
_cell_volume   124.1
_cell_formula_units_Z   2
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  0.44  1.0
  Al  Al1  1  0.68  0.0  0.65  1.0
  Al  Al2  1  0.27  0.0  0.26  1.0
  Al  Al3  1  0.14  0.0  0.47  1.0
  Se  Se4  1  0.67  0.0  0.63  1.0
  Se  Se5  1  0.29  0.0  0.28  1.0

data_Al2Se
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.71
_cell_length_b   5.95
_cell_length_c   6.33
_cell_angle_alpha   73.39
_cell_angle_beta   72.94
_cell_angle_gamma   71.84
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al2Se
_chemical_formula_sum   'Al4 Se2'
_cell_volume   124.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.01  0.2  1.0
  Al  Al1  2  0.0  0.35  0.99  1.0
  Se  Se2  2  0.0  0.02  0.17  1.0

Al Al Al Al Se Se