data_Ta13W3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   89.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta13W3
_chemical_formula_sum   'Ta13 W3'
_cell_volume   284.86
_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  0.66  0.3  0.33  1.0
  Ta  Ta1  1  0.66  0.0  0.65  1.0
  Ta  Ta2  1  0.66  0.7  0.33  1.0
  Ta  Ta3  1  0.28  0.63  0.67  1.0
  Ta  Ta4  1  0.28  0.37  0.67  1.0
  Ta  Ta5  1  0.28  0.0  0.04  1.0
  Ta  Ta6  1  0.91  0.3  0.33  1.0
  Ta  Ta7  1  0.91  0.0  0.65  1.0
  Ta  Ta8  1  0.91  0.7  0.33  1.0
  Ta  Ta9  1  0.0  0.0  0.29  1.0
  Ta  Ta10  1  0.0  0.63  0.66  1.0
  Ta  Ta11  1  0.0  0.37  0.66  1.0
  Ta  Ta12  1  0.0  0.0  0.03  1.0
  W  W13  1  0.65  0.0  0.01  1.0
  W  W14  1  0.28  0.0  0.31  1.0
  W  W15  1  0.91  0.0  0.01  1.0

data_Ta13W3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   6.57
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ta13W3
_chemical_formula_sum   'Ta13 W3'
_cell_volume   284.86
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.0  0.37  0.66  1.0
  Ta  Ta1  2  0.28  0.37  0.67  1.0
  Ta  Ta2  2  0.66  0.3  0.33  1.0
  Ta  Ta3  2  0.91  0.3  0.33  1.0
  Ta  Ta4  1  0.0  0.0  0.03  1.0
  Ta  Ta5  1  0.0  0.0  0.29  1.0
  Ta  Ta6  1  0.28  0.0  0.04  1.0
  Ta  Ta7  1  0.66  0.0  0.65  1.0
  Ta  Ta8  1  0.91  0.0  0.65  1.0
  W  W9  1  0.28  0.0  0.31  1.0
  W  W10  1  0.65  0.0  0.01  1.0
  W  W11  1  0.91  0.0  0.01  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta W W W
Ta13W3 crystallizes in the monoclinic Pm space group. There are nine inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 3-coordinate geometry to one Ta(5), one W(1), and one W(2) atom. The Ta(1)-Ta(5) bond length is 1.64 Å. The Ta(1)-W(1) bond length is 2.89 Å. The Ta(1)-W(2) bond length is 3.16 Å. In the second Ta site, Ta(2) is bonded in a distorted L-shaped geometry to one Ta(6) and one W(1) atom. The Ta(2)-Ta(6) bond length is 1.65 Å. The Ta(2)-W(1) bond length is 2.42 Å. In the third Ta site, Ta(3) is bonded in a 3-coordinate geometry to one Ta(3), one Ta(8), and one W(2) atom. The Ta(3)-Ta(3) bond length is 1.70 Å. The Ta(3)-Ta(8) bond length is 1.86 Å. The Ta(3)-W(2) bond length is 3.40 Å. In the fourth Ta site, Ta(4) is bonded in a 3-coordinate geometry to one Ta(9), one W(1), and one W(2) atom. The Ta(4)-Ta(9) bond length is 1.86 Å. The Ta(4)-W(1) bond length is 2.43 Å. The Ta(4)-W(2) bond length is 1.75 Å. In the fifth Ta site, Ta(5) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(7), and one Ta(8) atom. The Ta(5)-Ta(7) bond length is 2.08 Å. The Ta(5)-Ta(8) bond length is 2.29 Å. In the sixth Ta site, Ta(6) is bonded in a distorted L-shaped geometry to one Ta(2), two equivalent Ta(8), and one W(3) atom. Both Ta(6)-Ta(8) bond lengths are 2.53 Å. The Ta(6)-W(3) bond length is 2.42 Å. In the seventh Ta site, Ta(7) is bonded in a distorted single-bond geometry to two equivalent Ta(5) and one W(2) atom. The Ta(7)-W(2) bond length is 1.86 Å. In the eighth Ta site, Ta(8) is bonded in a 4-coordinate geometry to one Ta(3), one Ta(5), one Ta(6), and one Ta(8) atom. The Ta(8)-Ta(8) bond length is 1.67 Å. In the ninth Ta site, Ta(9) is bonded in a single-bond geometry to one Ta(4) and one W(3) atom. The Ta(9)-W(3) bond length is 0.58 Å. There are three inequivalent W sites. In the first W site, W(1) is bonded in a distorted trigonal bipyramidal geometry to one Ta(2), one Ta(4), two equivalent Ta(1), and one W(3) atom. The W(1)-W(3) bond length is 1.71 Å. In the second W site, W(2) is bonded in an L-shaped geometry to one Ta(4), one Ta(7), two equivalent Ta(1), and two equivalent Ta(3) atoms. In the third W site, W(3) is bonded in a single-bond geometry to one Ta(6), one Ta(9), and one W(1) atom.