data_LaMg2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.04
_cell_length_b   11.04
_cell_length_c   11.04
_cell_angle_alpha   16.86
_cell_angle_beta   16.86
_cell_angle_gamma   16.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg2Al
_chemical_formula_sum   'La1 Mg2 Al1'
_cell_volume   98.8
_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  La1  1  0.0  0.0  0.32  1.0
  Mg  Mg2  1  0.0  0.0  0.14  1.0
  Mg  Mg3  1  0.0  0.0  0.5  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_LaMg2Al
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.61
_cell_length_b   3.24
_cell_length_c   11.04
_cell_angle_alpha   90.0
_cell_angle_beta   99.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaMg2Al
_chemical_formula_sum   'La2 Mg4 Al2'
_cell_volume   197.61
_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  0.68  1.0
  Mg  Mg1  2  -0.0  0.0  0.5  1.0
  Mg  Mg2  2  -0.0  0.0  0.86  1.0
  Al  Al3  2  0.0  0.0  0.0  1.0

La Mg Mg Al
La Mg Mg Al 0 1 o o o 0 2 o o o 1 3 o o o 
Mg2LaAl is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mg2LaAl clusters. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a linear geometry to one La(1) and one Al(1) atom. The Mg(1)-La(1) bond length is 2.00 Å. The Mg(1)-Al(1) bond length is 1.58 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one La(1) atom. The Mg(2)-La(1) bond length is 2.00 Å. La(1) is bonded in a linear geometry to one Mg(1) and one Mg(2) atom. Al(1) is bonded in a single-bond geometry to one Mg(1) atom.