data_Mg2TaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   5.44
_cell_angle_alpha   93.81
_cell_angle_beta   93.81
_cell_angle_gamma   32.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TaRe
_chemical_formula_sum   'Mg2 Ta1 Re1'
_cell_volume   70.47
_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  0.63  0.0  0.39  1.0
  Mg  Mg1  1  0.03  0.0  0.07  1.0
  Ta  Ta3  1  0.0  0.0  0.48  1.0
  Re  Re2  1  0.58  0.0  0.62  1.0

data_Mg2TaRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.92
_cell_length_c   5.44
_cell_angle_alpha   93.81
_cell_angle_beta   90.0
_cell_angle_gamma   106.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TaRe
_chemical_formula_sum   'Mg2 Ta1 Re1'
_cell_volume   70.47
_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  0.0  0.37  0.61  1.0
  Mg  Mg1  1  0.0  0.97  0.93  1.0
  Ta  Ta2  1  0.0  1.0  0.52  1.0
  Re  Re3  1  0.0  0.42  0.38  1.0

Mg Mg Ta Re
Mg Mg Ta Re 0 3 o o o 0 1 + o o 0 2 + o o 1 2 o o o 1 1 + - o 2 3 - o o 
Mg2TaRe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mg2TaRe cluster. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one Ta(1) and one Re(1) atom. The Mg(1)-Ta(1) bond length is 1.87 Å. The Mg(1)-Re(1) bond length is 1.34 Å. In the second Mg site, Mg(2) is bonded in a 1-coordinate geometry to one Ta(1) atom. The Mg(2)-Ta(1) bond length is 2.27 Å. Ta(1) is bonded in a 2-coordinate geometry to one Mg(1) and one Mg(2) atom. Re(1) is bonded in a single-bond geometry to one Mg(1) atom.