data_Mg3In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   7.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3In
_chemical_formula_sum   'Mg3 In1'
_cell_volume   93.06
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.8  0.8  0.39  1.0
  Mg  Mg3  1  0.8  0.8  0.8  1.0
  In  In0  1  0.0  0.0  0.59  1.0

data_Mg3In
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   7.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg3In
_chemical_formula_sum   'Mg6 In2'
_cell_volume   186.11
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Mg  Mg1  2  0.3  0.5  0.39  1.0
  Mg  Mg2  2  0.3  0.5  0.8  1.0
  In  In3  2  0.0  0.0  0.59  1.0

Mg Mg Mg In
Mg3In crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mg3In clusters. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one Mg(3) atom. The Mg(1)-Mg(3) bond length is 1.78 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one In(1) atom. The Mg(2)-In(1) bond length is 1.78 Å. In the third Mg site, Mg(3) is bonded in a distorted single-bond geometry to one Mg(1) and one In(1) atom. The Mg(3)-In(1) bond length is 1.78 Å. In(1) is bonded in a water-like geometry to one Mg(2) and one Mg(3) atom.