data_TiBe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   141.3
_cell_angle_beta   141.3
_cell_angle_gamma   55.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBe2Cl
_chemical_formula_sum   'Ti1 Be2 Cl1'
_cell_volume   51.61
_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  0.51  1.0
  Be  Be0  1  0.0  0.69  0.26  1.0
  Be  Be1  1  0.69  0.0  0.26  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_TiBe2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   117.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiBe2Cl
_chemical_formula_sum   'Ti2 Be4 Cl2'
_cell_volume   103.21
_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  0.0  0.0  0.49  1.0
  Be  Be1  4  0.35  0.65  0.44  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Ti Be Be Cl
Be2TiCl crystallizes in the monoclinic Cm space group. Be(1) is bonded in a distorted single-bond geometry to one Ti(1) and one Cl(1) atom. The Be(1)-Ti(1) bond length is 0.99 Å. The Be(1)-Cl(1) bond length is 2.64 Å. Ti(1) is bonded in a distorted L-shaped geometry to two equivalent Be(1) and two equivalent Cl(1) atoms. There is one shorter (2.50 Å) and one longer (2.60 Å) Ti(1)-Cl(1) bond length. Cl(1) is bonded in a 4-coordinate geometry to two equivalent Be(1) and two equivalent Ti(1) atoms.