data_Mg2InAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   7.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2InAu
_chemical_formula_sum   'Mg2 In1 Au1'
_cell_volume   83.56
_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  Mg2  1  0.66  0.66  0.19  1.0
  Mg  Mg3  1  0.66  0.66  0.39  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.79  1.0

data_Mg2InAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   7.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2InAu
_chemical_formula_sum   'Mg4 In2 Au2'
_cell_volume   167.11
_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  0.16  0.5  0.19  1.0
  Mg  Mg1  2  0.16  0.5  0.39  1.0
  In  In2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.79  1.0

Mg Mg In Au
Mg Mg In Au 0 1 o o o 2 3 o o - 
Mg2AuIn crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to one Mg(2) and three equivalent In(1) atoms. The Mg(1)-Mg(2) bond length is 1.59 Å. There is one shorter (2.13 Å) and two longer (2.84 Å) Mg(1)-In(1) bond lengths. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to one Mg(1) and one Au(1) atom. The Mg(2)-Au(1) bond length is 3.40 Å. Au(1) is bonded in a single-bond geometry to one Mg(2) and one In(1) atom. The Au(1)-In(1) bond length is 1.59 Å. In(1) is bonded in a 2-coordinate geometry to three equivalent Mg(1) and one Au(1) atom.