data_LiLaMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaMg2
_chemical_formula_sum   'Li1 La1 Mg2'
_cell_volume   101.34
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  La  La0  1  0.0  0.0  0.44  1.0
  Mg  Mg2  1  0.37  0.0  0.85  1.0
  Mg  Mg3  1  0.37  0.0  0.03  1.0

data_LiLaMg2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiLaMg2
_chemical_formula_sum   'Li1 La1 Mg2'
_cell_volume   101.36
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Li  Li0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.0  0.0  0.44  1.0
  Mg  Mg2  1  0.37  0.0  0.03  1.0
  Mg  Mg3  1  0.37  0.0  0.85  1.0

Li La Mg Mg
LiMg2La crystallizes in the monoclinic Pm space group. Li(1) is bonded in a distorted single-bond geometry to one Mg(1), one Mg(2), and one La(1) atom. The Li(1)-Mg(1) bond length is 1.84 Å. The Li(1)-Mg(2) bond length is 1.27 Å. The Li(1)-La(1) bond length is 3.89 Å. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to one Li(1), one Mg(2), and two equivalent La(1) atoms. The Mg(1)-Mg(2) bond length is 1.62 Å. There is one shorter (3.83 Å) and one longer (4.21 Å) Mg(1)-La(1) bond length. In the second Mg site, Mg(2) is bonded in a distorted single-bond geometry to one Li(1), one Mg(1), and two equivalent La(1) atoms. There is one shorter (3.83 Å) and one longer (4.21 Å) Mg(2)-La(1) bond length. La(1) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Mg(1), two equivalent Mg(2), and four equivalent La(1) atoms. All La(1)-La(1) bond lengths are 3.38 Å.