data_AlSe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.48
_cell_angle_alpha   97.59
_cell_angle_beta   97.59
_cell_angle_gamma   37.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSe2Cl
_chemical_formula_sum   'Al1 Se2 Cl1'
_cell_volume   101.61
_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  Se2  1  0.99  0.0  0.53  1.0
  Se  Se3  1  0.75  0.0  0.9  1.0
  Cl  Cl1  1  0.87  0.0  0.71  1.0

data_AlSe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.48
_cell_length_c   5.54
_cell_angle_alpha   97.59
_cell_angle_beta   108.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSe2Cl
_chemical_formula_sum   'Al1 Se2 Cl1'
_cell_volume   101.61
_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  0.0  0.53  0.99  1.0
  Se  Se2  1  0.0  0.9  0.75  1.0
  Cl  Cl3  1  0.0  0.71  0.87  1.0

Al Se Se Cl