data_LaAlCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   130.32
_cell_angle_beta   130.32
_cell_angle_gamma   72.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAlCl2
_chemical_formula_sum   'La1 Al1 Cl2'
_cell_volume   95.68
_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
  La  La3  1  0.0  0.0  0.44  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.32  0.0  0.22  1.0
  Cl  Cl2  1  0.0  0.32  0.22  1.0

data_LaAlCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   126.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaAlCl2
_chemical_formula_sum   'La2 Al2 Cl4'
_cell_volume   191.36
_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
  La  La0  2  0.0  0.0  0.44  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  4  0.34  0.34  0.9  1.0

La Al Cl Cl
La Al Cl Cl 0 3 o o o 0 3 o - o 0 2 - o o 0 2 o o o 0 1 o o o 0 1 o o + 1 3 o o o 1 2 o o o 
LaAlCl2 crystallizes in the monoclinic Cm space group. La(1) is bonded in a 8-coordinate geometry to two equivalent Al(1) and six equivalent Cl(1) atoms. There is one shorter (2.45 Å) and one longer (3.08 Å) La(1)-Al(1) bond length. There are a spread of La(1)-Cl(1) bond distances ranging from 2.73-3.43 Å. Al(1) is bonded in a water-like geometry to two equivalent La(1) and two equivalent Cl(1) atoms. Both Al(1)-Cl(1) bond lengths are 1.35 Å. Cl(1) is bonded in a single-bond geometry to three equivalent La(1) and one Al(1) atom.