data_Ta3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   9.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Mo
_chemical_formula_sum   'Ta3 Mo1'
_cell_volume   70.3
_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  0.55  1.0
  Ta  Ta2  1  0.63  0.0  0.91  1.0
  Ta  Ta3  1  0.63  0.0  0.19  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_Ta3Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   9.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Mo
_chemical_formula_sum   'Ta3 Mo1'
_cell_volume   70.3
_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  0.55  1.0
  Ta  Ta1  1  0.63  0.0  0.19  1.0
  Ta  Ta2  1  0.63  0.0  0.91  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Ta Ta Ta Mo
Ta3Mo crystallizes in the triclinic P1 space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 10-coordinate geometry to two equivalent Ta(2), two equivalent Ta(3), and six equivalent Ta(1) atoms. There is one shorter (3.45 Å) and one longer (3.75 Å) Ta(1)-Ta(2) bond length. There is one shorter (3.45 Å) and one longer (3.75 Å) Ta(1)-Ta(3) bond length. There are four shorter (2.87 Å) and two longer (3.27 Å) Ta(1)-Ta(1) bond lengths. In the second Ta site, Ta(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Ta(1) and two equivalent Mo(1) atoms. There is one shorter (1.31 Å) and one longer (1.98 Å) Ta(2)-Mo(1) bond length. In the third Ta site, Ta(3) is bonded in a 2-coordinate geometry to two equivalent Ta(1) and two equivalent Mo(1) atoms. There is one shorter (2.05 Å) and one longer (2.53 Å) Ta(3)-Mo(1) bond length. Mo(1) is bonded in a 1-coordinate geometry to two equivalent Ta(2) and two equivalent Ta(3) atoms.