data_AlSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24
_cell_length_b   7.24
_cell_length_c   7.24
_cell_angle_alpha   150.46
_cell_angle_beta   150.46
_cell_angle_gamma   42.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSe3
_chemical_formula_sum   'Al1 Se3'
_cell_volume   92.18
_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  0.0  0.0  1.0
  Se  Se1  1  0.85  0.0  0.38  1.0
  Se  Se2  1  0.0  0.0  0.76  1.0
  Se  Se3  1  0.0  0.85  0.38  1.0

data_AlSe3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   111.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlSe3
_chemical_formula_sum   'Al2 Se6'
_cell_volume   184.35
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  1.0
  Se  Se1  4  0.45  0.08  0.53  1.0
  Se  Se2  2  0.26  0.5  0.76  1.0

Al Se Se Se