data_YTa2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2W
_chemical_formula_sum   'Y1 Ta2 W1'
_cell_volume   82.34
_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
  Y  Y3  1  0.0  0.0  0.4  1.0
  Ta  Ta0  1  0.68  0.68  0.35  1.0
  Ta  Ta1  1  0.0  0.0  0.91  1.0
  W  W2  1  0.68  0.68  0.31  1.0

data_YTa2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTa2W
_chemical_formula_sum   'Y2 Ta4 W2'
_cell_volume   164.69
_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
  Y  Y0  2  0.0  0.0  0.4  1.0
  Ta  Ta1  2  0.0  0.0  0.91  1.0
  Ta  Ta2  2  0.18  0.5  0.35  1.0
  W  W3  2  0.18  0.5  0.31  1.0

Y Ta Ta W
YTa2W crystallizes in the monoclinic Cm space group. Y(1) is bonded in a 1-coordinate geometry to one Ta(1) and two equivalent Ta(2) atoms. The Y(1)-Ta(1) bond length is 1.59 Å. There is one shorter (3.65 Å) and one longer (3.67 Å) Y(1)-Ta(2) bond length. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Y(1) and one W(1) atom. The Ta(1)-W(1) bond length is 0.23 Å. In the second Ta site, Ta(2) is bonded in a 9-coordinate geometry to two equivalent Y(1), four equivalent Ta(2), and three equivalent W(1) atoms. All Ta(2)-Ta(2) bond lengths are 3.36 Å. There is one shorter (3.35 Å) and two longer (3.91 Å) Ta(2)-W(1) bond lengths. W(1) is bonded in a single-bond geometry to one Ta(1) and three equivalent Ta(2) atoms.