data_Al2SeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.53
_cell_angle_alpha   106.0
_cell_angle_beta   106.0
_cell_angle_gamma   34.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SeCl
_chemical_formula_sum   'Al2 Se1 Cl1'
_cell_volume   102.43
_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  0.86  0.0  0.59  1.0
  Al  Al1  1  0.7  0.0  0.01  1.0
  Se  Se3  1  0.0  0.0  0.93  1.0
  Cl  Cl2  1  0.13  0.0  0.72  1.0

data_Al2SeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.53
_cell_length_c   5.81
_cell_angle_alpha   106.0
_cell_angle_beta   107.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SeCl
_chemical_formula_sum   'Al2 Se1 Cl1'
_cell_volume   102.43
_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  0.01  0.7  1.0
  Al  Al1  1  0.0  0.59  0.86  1.0
  Se  Se2  1  0.0  0.93  0.0  1.0
  Cl  Cl3  1  0.0  0.72  0.13  1.0

Al Al Se Cl