data_Ba2YW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   125.0
_cell_angle_beta   125.0
_cell_angle_gamma   81.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YW
_chemical_formula_sum   'Ba2 Y1 W1'
_cell_volume   131.36
_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  0.72  0.0  0.23  1.0
  Ba  Ba1  1  0.0  0.0  0.45  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.72  0.23  1.0

data_Ba2YW
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.88
_cell_angle_alpha   117.5
_cell_angle_beta   117.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YW
_chemical_formula_sum   'Ba2 Y1 W1'
_cell_volume   131.36
_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  0.55  0.0  0.55  1.0
  Ba  Ba1  1  0.77  0.0  0.49  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.49  0.72  0.49  1.0

Ba Ba Y W
Ba2YW crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 1-coordinate geometry to one Ba(2) and two equivalent Y(1) atoms. The Ba(1)-Ba(2) bond length is 1.42 Å. There is one shorter (2.67 Å) and one longer (3.61 Å) Ba(1)-Y(1) bond length. In the second Ba site, Ba(2) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Y(1), and one W(1) atom. There is one shorter (2.67 Å) and one longer (3.21 Å) Ba(2)-Y(1) bond length. The Ba(2)-W(1) bond length is 1.42 Å. Y(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent W(1) atoms. There is one shorter (2.67 Å) and one longer (3.61 Å) Y(1)-W(1) bond length. W(1) is bonded in a single-bond geometry to one Ba(2) and two equivalent Y(1) atoms.