data_Mg2FeRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   4.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2FeRe
_chemical_formula_sum   'Mg2 Fe1 Re1'
_cell_volume   59.32
_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  0.85  0.17  1.0
  Mg  Mg2  1  0.85  0.0  0.17  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.85  0.85  0.0  1.0

data_Mg2FeRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   4.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2FeRe
_chemical_formula_sum   'Mg4 Fe2 Re2'
_cell_volume   118.64
_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  4  0.42  0.42  0.17  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Re  Re2  2  0.35  0.5  -0.0  1.0

Mg Mg Fe Re
Mg Mg Fe Re 0 3 - o o 0 1 - + o 0 2 o + o 1 3 o - o 1 2 + o o 2 3 - - o 
Mg2ReFe is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mg2ReFe clusters. Mg(1) is bonded in a 3-coordinate geometry to one Mg(1), one Re(1), and one Fe(1) atom. The Mg(1)-Mg(1) bond length is 0.80 Å. The Mg(1)-Re(1) bond length is 0.94 Å. The Mg(1)-Fe(1) bond length is 0.94 Å. Re(1) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Fe(1) atom. The Re(1)-Fe(1) bond length is 0.80 Å. Fe(1) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Re(1) atom.