data_Mg2ScBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   4.42
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ScBe
_chemical_formula_sum   'Mg2 Sc1 Be1'
_cell_volume   75.99
_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  0.21  0.32  1.0
  Mg  Mg2  1  0.85  0.0  0.32  1.0
  Sc  Sc3  1  0.85  0.21  0.0  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_Mg2ScBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.42
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ScBe
_chemical_formula_sum   'Mg2 Sc1 Be1'
_cell_volume   75.99
_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  0.21  0.32  1.0
  Mg  Mg1  1  0.85  0.0  0.32  1.0
  Sc  Sc2  1  0.85  0.21  0.0  1.0
  Be  Be3  1  0.0  0.0  0.0  1.0

Mg Mg Sc Be
Mg Mg Sc Be 0 1 - o o 2 3 + o o 
Mg2BeSc is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mg2BeSc cluster. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to one Mg(2), one Be(1), and one Sc(1) atom. The Mg(1)-Mg(2) bond length is 1.09 Å. The Mg(1)-Be(1) bond length is 1.77 Å. The Mg(1)-Sc(1) bond length is 1.60 Å. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to one Mg(1) and one Be(1) atom. The Mg(2)-Be(1) bond length is 1.60 Å. Be(1) is bonded in a distorted single-bond geometry to one Mg(1), one Mg(2), and one Sc(1) atom. The Be(1)-Sc(1) bond length is 1.09 Å. Sc(1) is bonded in a distorted single-bond geometry to one Mg(1) and one Be(1) atom.