data_Ta2TiBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiBe
_chemical_formula_sum   'Ta2 Ti1 Be1'
_cell_volume   62.93
_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
  Ta  Ta1  1  0.9  0.0  0.73  1.0
  Ta  Ta2  1  0.9  0.0  0.36  1.0
  Ti  Ti3  1  0.0  0.0  0.05  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_Ta2TiBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiBe
_chemical_formula_sum   'Ta2 Ti1 Be1'
_cell_volume   62.93
_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
  Ta  Ta0  1  0.9  0.0  0.36  1.0
  Ta  Ta1  1  0.9  0.0  0.73  1.0
  Ti  Ti2  1  0.0  0.0  0.05  1.0
  Be  Be3  1  0.0  0.0  0.0  1.0

Ta Ta Ti Be
Ta Ta Ti Be 0 0 o + o 0 0 + o o 0 3 + o + 0 2 + o + 0 1 o o o 1 1 o + o 1 1 + o o 1 3 + o o 1 2 + o o 2 3 o o o 
BeTiTa2 crystallizes in the triclinic P1 space group. Be(1) is bonded in a single-bond geometry to one Ti(1) and one Ta(1) atom. The Be(1)-Ti(1) bond length is 0.37 Å. The Be(1)-Ta(1) bond length is 2.19 Å. Ti(1) is bonded in a single-bond geometry to one Be(1) and one Ta(2) atom. The Ti(1)-Ta(2) bond length is 2.56 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted single-bond geometry to one Be(1) and one Ta(2) atom. The Ta(1)-Ta(2) bond length is 3.01 Å. In the second Ta site, Ta(2) is bonded to one Ti(1), one Ta(1), and four equivalent Ta(2) atoms to form a mixture of distorted edge and corner-sharing TaTa5Ti octahedra. The corner-sharing octahedra are not tilted. All Ta(2)-Ta(2) bond lengths are 2.79 Å.