data_NaScBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   4.74
_cell_angle_alpha   112.71
_cell_angle_beta   112.71
_cell_angle_gamma   30.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScBe2
_chemical_formula_sum   'Na1 Sc1 Be2'
_cell_volume   65.62
_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
  Na  Na2  1  0.5  0.0  0.34  1.0
  Sc  Sc3  1  0.2  0.0  0.92  1.0
  Be  Be0  1  0.25  0.0  0.25  1.0
  Be  Be1  1  0.63  0.0  0.35  1.0

data_NaScBe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.74
_cell_length_c   5.46
_cell_angle_alpha   112.71
_cell_angle_beta   105.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScBe2
_chemical_formula_sum   'Na1 Sc1 Be2'
_cell_volume   65.62
_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
  Na  Na0  1  0.0  0.34  0.5  1.0
  Sc  Sc1  1  0.0  0.92  0.2  1.0
  Be  Be2  1  0.0  0.25  0.25  1.0
  Be  Be3  1  0.0  0.35  0.63  1.0

Na Sc Be Be
Na Sc Be Be 0 3 o o o 0 2 o o o 1 2 o o + 
NaBe2Sc crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NaBe2Sc cluster. Na(1) is bonded in a distorted linear geometry to one Be(1) and one Be(2) atom. The Na(1)-Be(1) bond length is 1.29 Å. The Na(1)-Be(2) bond length is 0.67 Å. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted L-shaped geometry to one Na(1) and one Sc(1) atom. The Be(1)-Sc(1) bond length is 1.50 Å. In the second Be site, Be(2) is bonded in a single-bond geometry to one Na(1) atom. Sc(1) is bonded in a distorted single-bond geometry to one Be(1) atom.