data_Ta2TiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiMo
_chemical_formula_sum   'Ta2 Ti1 Mo1'
_cell_volume   69.09
_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  0.0  0.0  0.1  1.0
  Ta  Ta2  1  0.62  0.0  0.76  1.0
  Ti  Ti3  1  0.0  0.0  0.39  1.0
  Mo  Mo0  1  0.62  0.0  0.29  1.0

data_Ta2TiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiMo
_chemical_formula_sum   'Ta2 Ti1 Mo1'
_cell_volume   69.09
_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  0.0  0.0  0.1  1.0
  Ta  Ta1  1  0.62  0.0  0.76  1.0
  Ti  Ti2  1  0.0  0.0  0.39  1.0
  Mo  Mo3  1  0.62  0.0  0.29  1.0

Ta Ta Ti Mo
Ta Ta Ti Mo 0 3 - o o 0 3 o o o 0 1 - o - 1 1 + + o 1 1 o + o 1 1 + o o 1 2 + o o 2 3 - o o 
TiTa2Mo crystallizes in the triclinic P1 space group. Ti(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ta(2) and two equivalent Mo(1) atoms. There is one shorter (3.48 Å) and one longer (3.76 Å) Ti(1)-Ta(2) bond length. There is one shorter (1.41 Å) and one longer (1.99 Å) Ti(1)-Mo(1) bond length. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 2-coordinate geometry to two equivalent Ta(2) and two equivalent Mo(1) atoms. There is one shorter (3.28 Å) and one longer (3.57 Å) Ta(1)-Ta(2) bond length. There is one shorter (2.04 Å) and one longer (2.48 Å) Ta(1)-Mo(1) bond length. In the second Ta site, Ta(2) is bonded in a 10-coordinate geometry to two equivalent Ti(1), two equivalent Ta(1), and six equivalent Ta(2) atoms. There are four shorter (2.86 Å) and two longer (3.24 Å) Ta(2)-Ta(2) bond lengths. Mo(1) is bonded in a 1-coordinate geometry to two equivalent Ti(1) and two equivalent Ta(1) atoms.