data_Ti2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   6.78
_cell_angle_alpha   111.09
_cell_angle_beta   111.09
_cell_angle_gamma   32.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Be
_chemical_formula_sum   'Ti4 Be2'
_cell_volume   85.84
_cell_formula_units_Z   2
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
  Ti  Ti2  1  0.14  0.0  0.48  1.0
  Ti  Ti3  1  0.29  0.0  0.65  1.0
  Ti  Ti4  1  0.94  0.0  0.81  1.0
  Ti  Ti5  1  0.78  0.0  0.63  1.0
  Be  Be0  1  0.64  0.0  0.75  1.0
  Be  Be1  1  0.44  0.0  0.53  1.0

data_Ti2Be
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.84
_cell_length_b   5.02
_cell_length_c   6.78
_cell_angle_alpha   111.09
_cell_angle_beta   90.0
_cell_angle_gamma   106.44
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ti2Be
_chemical_formula_sum   'Ti4 Be2'
_cell_volume   85.84
_cell_formula_units_Z   2
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
  Ti  Ti0  2  0.0  0.24  0.99  1.0
  Ti  Ti1  2  0.0  0.4  0.16  1.0
  Be  Be2  2  0.0  0.1  0.11  1.0

Ti Ti Ti Ti Be Be
Ti Ti Ti Ti Be Be 0 1 o o o 0 5 o o o 1 5 o o o 2 3 o o o 2 4 o o o 3 4 o o o 4 5 o o o 
BeTi2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one BeTi2 cluster. Be(1) is bonded in a 4-coordinate geometry to one Be(1), one Ti(1), and two equivalent Ti(2) atoms. The Be(1)-Be(1) bond length is 1.49 Å. The Be(1)-Ti(1) bond length is 1.41 Å. There is one shorter (1.27 Å) and one longer (1.62 Å) Be(1)-Ti(2) bond length. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 2-coordinate geometry to one Be(1) and one Ti(2) atom. The Ti(1)-Ti(2) bond length is 1.15 Å. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to two equivalent Be(1) and one Ti(1) atom.