data_AlSeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69
_cell_length_b   7.11
_cell_length_c   3.81
_cell_angle_alpha   83.59
_cell_angle_beta   66.89
_cell_angle_gamma   29.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSeCl
_chemical_formula_sum   'Al1 Se1 Cl1'
_cell_volume   81.36
_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  0.74  0.39  0.73  1.0
  Se  Se2  1  0.74  0.39  0.28  1.0
  Cl  Cl1  1  0.74  0.39  0.58  1.0

data_AlSeCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.48
_cell_length_b   13.79
_cell_length_c   3.81
_cell_angle_alpha   90.0
_cell_angle_beta   117.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlSeCl
_chemical_formula_sum   'Al2 Se2 Cl2'
_cell_volume   162.73
_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  0.39  0.0  0.53  1.0
  Se  Se1  2  0.39  0.0  0.98  1.0
  Cl  Cl2  2  0.39  0.0  0.69  1.0

Al Se Cl