data_BaTiBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   3.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTiBe2
_chemical_formula_sum   'Ba1 Ti1 Be2'
_cell_volume   76.07
_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
  Ba  Ba0  1  0.3  0.0  0.0  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.65  0.1  0.51  1.0
  Be  Be2  1  0.65  0.9  0.51  1.0

data_BaTiBe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.04
_cell_length_b   3.03
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   98.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaTiBe2
_chemical_formula_sum   'Ba1 Ti1 Be2'
_cell_volume   76.07
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ba  Ba0  1  0.3  0.0  0.0  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.65  0.5  0.1  1.0
  Be  Be3  1  0.65  0.5  0.9  1.0

Ba Ti Be Be
(Be)2BaTi crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaTi cluster and one Be cluster. In the BaTi cluster, Ba(1) is bonded in a distorted single-bond geometry to one Ti(1) atom. The Ba(1)-Ti(1) bond length is 1.51 Å. Ti(1) is bonded in a single-bond geometry to one Ba(1) atom. In the Be cluster, there are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted single-bond geometry to one Be(2) atom. The Be(1)-Be(2) bond length is 0.99 Å. In the second Be site, Be(2) is bonded in a single-bond geometry to one Be(1) atom.