data_LaTi2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTi2Be
_chemical_formula_sum   'La1 Ti2 Be1'
_cell_volume   76.5
_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
  La  La1  1  0.12  0.12  0.0  1.0
  Ti  Ti2  1  0.12  0.0  0.13  1.0
  Ti  Ti3  1  0.0  0.12  0.13  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_LaTi2Be
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTi2Be
_chemical_formula_sum   'La2 Ti4 Be2'
_cell_volume   153.01
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  La  La0  2  0.12  0.0  0.0  1.0
  Ti  Ti1  4  0.06  0.06  0.13  1.0
  Be  Be2  2  0.0  0.0  0.0  1.0

La Ti Ti Be
BeLaTi2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BeLaTi2 clusters. Be(1) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Ti(1) atoms. The Be(1)-La(1) bond length is 0.71 Å. Both Be(1)-Ti(1) bond lengths are 0.75 Å. La(1) is bonded in a 3-coordinate geometry to one Be(1) and two equivalent Ti(1) atoms. Both La(1)-Ti(1) bond lengths are 0.75 Å. Ti(1) is bonded in a 3-coordinate geometry to one Be(1), one La(1), and one Ti(1) atom. The Ti(1)-Ti(1) bond length is 0.71 Å.