data_TiBe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   4.95
_cell_angle_alpha   100.64
_cell_angle_beta   100.64
_cell_angle_gamma   38.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBe2Pd
_chemical_formula_sum   'Ti1 Be2 Pd1'
_cell_volume   51.15
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.63  0.0  0.48  1.0
  Be  Be1  1  0.22  0.0  0.37  1.0
  Pd  Pd2  1  0.42  0.0  0.43  1.0

data_TiBe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.13
_cell_length_c   4.95
_cell_angle_alpha   100.64
_cell_angle_beta   90.0
_cell_angle_gamma   109.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBe2Pd
_chemical_formula_sum   'Ti1 Be2 Pd1'
_cell_volume   51.15
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.0  0.37  0.52  1.0
  Be  Be2  1  0.0  0.78  0.63  1.0
  Pd  Pd3  1  0.0  0.58  0.57  1.0

Ti Be Be Pd
Ti Be Be Pd 0 2 o o o 1 3 o o o 2 3 o o o 
Be2TiPd crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Be2TiPd cluster. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a single-bond geometry to one Pd(1) atom. The Be(1)-Pd(1) bond length is 0.82 Å. In the second Be site, Be(2) is bonded in a single-bond geometry to one Ti(1) and one Pd(1) atom. The Be(2)-Ti(1) bond length is 1.90 Å. The Be(2)-Pd(1) bond length is 0.82 Å. Ti(1) is bonded in a distorted single-bond geometry to one Be(2) atom. Pd(1) is bonded in a linear geometry to one Be(1) and one Be(2) atom.