data_Ti2BeCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BeCd
_chemical_formula_sum   'Ti2 Be1 Cd1'
_cell_volume   60.07
_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
  Ti  Ti2  1  0.39  0.39  0.17  1.0
  Ti  Ti3  1  0.39  0.39  0.58  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.88  1.0

data_Ti2BeCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2BeCd
_chemical_formula_sum   'Ti4 Be2 Cd2'
_cell_volume   120.14
_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
  Ti  Ti0  2  0.39  0.0  0.17  1.0
  Ti  Ti1  2  0.39  0.0  0.58  1.0
  Be  Be2  2  0.0  0.0  0.0  1.0
  Cd  Cd3  2  0.0  0.0  0.88  1.0

Ti Ti Be Cd
BeTi2Cd crystallizes in the monoclinic Cm space group. Be(1) is bonded in a distorted single-bond geometry to four equivalent Ti(1) and one Cd(1) atom. There are a spread of Be(1)-Ti(1) bond distances ranging from 2.04-2.74 Å. The Be(1)-Cd(1) bond length is 0.95 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 9-coordinate geometry to four equivalent Be(1), one Ti(2), and four equivalent Ti(1) atoms. The Ti(1)-Ti(2) bond length is 3.20 Å. All Ti(1)-Ti(1) bond lengths are 2.78 Å. In the second Ti site, Ti(2) is bonded in a 9-coordinate geometry to one Ti(1), four equivalent Ti(2), and four equivalent Cd(1) atoms. All Ti(2)-Ti(2) bond lengths are 2.78 Å. There are a spread of Ti(2)-Cd(1) bond distances ranging from 2.75-3.31 Å. Cd(1) is bonded in a single-bond geometry to one Be(1) and four equivalent Ti(2) atoms.