data_Mg2FeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   3.18
_cell_angle_alpha   90.89
_cell_angle_beta   90.89
_cell_angle_gamma   94.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2FeAu
_chemical_formula_sum   'Mg2 Fe1 Au1'
_cell_volume   66.63
_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  0.51  0.69  0.59  1.0
  Mg  Mg3  1  0.51  0.31  0.59  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.1  0.0  0.0  1.0

data_Mg2FeAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   94.99
_cell_angle_beta   90.89
_cell_angle_gamma   90.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2FeAu
_chemical_formula_sum   'Mg2 Fe1 Au1'
_cell_volume   66.63
_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  Mg0  1  0.59  0.51  0.31  1.0
  Mg  Mg1  1  0.59  0.51  0.69  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.1  0.0  1.0

Mg Mg Fe Au
Mg2FeAu crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Fe(1), and two equivalent Au(1) atoms. Both Mg(1)-Mg(1) bond lengths are 3.18 Å. There is one shorter (1.74 Å) and one longer (2.84 Å) Mg(1)-Mg(2) bond length. There is one shorter (2.83 Å) and one longer (3.20 Å) Mg(1)-Fe(1) bond length. There is one shorter (2.80 Å) and one longer (3.10 Å) Mg(1)-Au(1) bond length. In the second Mg site, Mg(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and two equivalent Au(1) atoms. There is one shorter (2.64 Å) and one longer (2.92 Å) Mg(2)-Au(1) bond length. Fe(1) is bonded in a single-bond geometry to two equivalent Mg(1) and one Au(1) atom. The Fe(1)-Au(1) bond length is 0.45 Å. Au(1) is bonded in a single-bond geometry to two equivalent Mg(1), two equivalent Mg(2), and one Fe(1) atom.