data_Ta2TiTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   8.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiTc
_chemical_formula_sum   'Ta2 Ti1 Tc1'
_cell_volume   67.89
_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  0.61  0.0  0.34  1.0
  Ta  Ta1  1  0.61  0.0  0.63  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.49  1.0

data_Ta2TiTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   8.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiTc
_chemical_formula_sum   'Ta2 Ti1 Tc1'
_cell_volume   67.89
_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  0.61  0.0  0.34  1.0
  Ta  Ta1  1  0.61  0.0  0.63  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.49  1.0

Ta Ta Ti Tc
TiTa2Tc crystallizes in the triclinic P1 space group. Ti(1) is bonded in a 10-coordinate geometry to six equivalent Ti(1), two equivalent Ta(1), and two equivalent Ta(2) atoms. There are four shorter (2.85 Å) and two longer (3.21 Å) Ti(1)-Ti(1) bond lengths. There is one shorter (3.26 Å) and one longer (3.51 Å) Ti(1)-Ta(1) bond length. There is one shorter (3.50 Å) and one longer (3.74 Å) Ti(1)-Ta(2) bond length. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted L-shaped geometry to two equivalent Ti(1) and two equivalent Tc(1) atoms. There is one shorter (1.72 Å) and one longer (2.16 Å) Ta(1)-Tc(1) bond length. In the second Ta site, Ta(2) is bonded in a distorted L-shaped geometry to two equivalent Ti(1) and two equivalent Tc(1) atoms. There is one shorter (1.72 Å) and one longer (2.16 Å) Ta(2)-Tc(1) bond length. Tc(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ta(1) and two equivalent Ta(2) atoms.