data_BaYW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   6.62
_cell_angle_alpha   148.46
_cell_angle_beta   133.41
_cell_angle_gamma   57.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYW2
_chemical_formula_sum   'Ba1 Y1 W2'
_cell_volume   109.48
_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
  Ba  Ba0  1  0.8  0.0  0.6  1.0
  Y  Y3  1  0.0  0.0  0.78  1.0
  W  W1  1  0.0  0.0  0.17  1.0
  W  W2  1  0.0  0.62  0.69  1.0

data_BaYW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   5.24
_cell_length_c   6.62
_cell_angle_alpha   113.29
_cell_angle_beta   105.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYW2
_chemical_formula_sum   'Ba1 Y1 W2'
_cell_volume   109.48
_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
  Ba  Ba0  1  0.2  0.4  0.2  1.0
  Y  Y1  1  0.22  0.22  0.22  1.0
  W  W2  1  0.31  0.93  0.93  1.0
  W  W3  1  0.83  0.83  0.83  1.0

Ba Y W W
BaYW2 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a single-bond geometry to one Y(1) and two equivalent W(1) atoms. The Ba(1)-Y(1) bond length is 1.01 Å. There is one shorter (3.87 Å) and one longer (3.93 Å) Ba(1)-W(1) bond length. Y(1) is bonded in a distorted water-like geometry to one Ba(1), one W(1), and one W(2) atom. The Y(1)-W(1) bond length is 2.57 Å. The Y(1)-W(2) bond length is 2.01 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Y(1), and two equivalent W(2) atoms. There is one shorter (1.69 Å) and one longer (2.14 Å) W(1)-W(2) bond length. In the second W site, W(2) is bonded in a distorted single-bond geometry to one Y(1) and two equivalent W(1) atoms.