data_Ta2AlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AlMo
_chemical_formula_sum   'Ta2 Al1 Mo1'
_cell_volume   68.33
_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  Ta2  1  0.38  0.38  0.8  1.0
  Ta  Ta3  1  0.38  0.38  0.12  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.46  1.0

data_Ta2AlMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2AlMo
_chemical_formula_sum   'Ta4 Al2 Mo2'
_cell_volume   136.66
_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
  Ta  Ta0  2  0.38  0.0  0.12  1.0
  Ta  Ta1  2  0.38  0.0  0.8  1.0
  Al  Al2  2  0.0  0.0  0.0  1.0
  Mo  Mo3  2  0.0  0.0  0.46  1.0

Ta Ta Al Mo
Ta Ta Al Mo 0 2 o o + 0 2 o + + 0 2 + o + 0 2 + + + 0 0 + o o 0 0 o + o 0 1 o o + 1 2 o o o 1 2 o + o 1 2 + o o 3 3 + o o 3 3 o + o 
Ta2MoAl crystallizes in the monoclinic Cm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 1-coordinate geometry to four equivalent Mo(1) and one Al(1) atom. There are a spread of Ta(1)-Mo(1) bond distances ranging from 3.38-3.87 Å. The Ta(1)-Al(1) bond length is 2.33 Å. In the second Ta site, Ta(2) is bonded in a 1-coordinate geometry to four equivalent Mo(1) and one Al(1) atom. There are a spread of Ta(2)-Mo(1) bond distances ranging from 3.38-3.87 Å. The Ta(2)-Al(1) bond length is 1.86 Å. Mo(1) is bonded in a 12-coordinate geometry to four equivalent Ta(1), four equivalent Ta(2), and four equivalent Mo(1) atoms. All Mo(1)-Mo(1) bond lengths are 2.77 Å. Al(1) is bonded in a 1-coordinate geometry to one Ta(1) and one Ta(2) atom.