data_Li2MgIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgIn
_chemical_formula_sum   'Li2 Mg1 In1'
_cell_volume   79.01
_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  0.7  0.7  0.06  1.0
  Li  Li2  1  0.7  0.7  0.79  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.42  1.0

data_Li2MgIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2MgIn
_chemical_formula_sum   'Li4 Mg2 In2'
_cell_volume   158.02
_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
  Li  Li0  2  0.2  0.5  0.06  1.0
  Li  Li1  2  0.2  0.5  0.79  1.0
  Mg  Mg2  2  0.0  0.0  0.0  1.0
  In  In3  2  0.0  0.0  0.42  1.0

Li Li Mg In
Li2MgIn crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted single-bond geometry to one Li(2), one Mg(1), and one In(1) atom. The Li(1)-Li(2) bond length is 1.89 Å. The Li(1)-Mg(1) bond length is 1.51 Å. The Li(1)-In(1) bond length is 2.87 Å. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one Li(1), three equivalent Mg(1), and one In(1) atom. There is one shorter (2.06 Å) and two longer (2.97 Å) Li(2)-Mg(1) bond lengths. The Li(2)-In(1) bond length is 2.87 Å. Mg(1) is bonded in a distorted single-bond geometry to one Li(1), three equivalent Li(2), and one In(1) atom. The Mg(1)-In(1) bond length is 2.90 Å. In(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Mg(1) atom.