data_AlSeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.2
_cell_angle_alpha   113.46
_cell_angle_beta   113.46
_cell_angle_gamma   26.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSeCl2
_chemical_formula_sum   'Al1 Se1 Cl2'
_cell_volume   107.31
_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  0.66  0.0  0.55  1.0
  Se  Se3  1  0.82  0.0  0.5  1.0
  Cl  Cl1  1  0.81  0.0  0.11  1.0
  Cl  Cl2  1  0.82  0.0  0.99  1.0

data_AlSeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   6.2
_cell_length_c   6.47
_cell_angle_alpha   113.46
_cell_angle_beta   103.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSeCl2
_chemical_formula_sum   'Al1 Se1 Cl2'
_cell_volume   107.31
_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  0.55  0.66  1.0
  Se  Se1  1  0.0  0.5  0.82  1.0
  Cl  Cl2  1  0.0  0.11  0.81  1.0
  Cl  Cl3  1  0.0  0.99  0.82  1.0

Al Se Cl Cl