data_BaYW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYW2
_chemical_formula_sum   'Ba1 Y1 W2'
_cell_volume   91.31
_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  0.36  0.36  0.36  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  W  W1  1  0.79  0.79  0.79  1.0
  W  W2  1  0.57  0.57  0.57  1.0

data_BaYW2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   12.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaYW2
_chemical_formula_sum   'Ba3 Y3 W6'
_cell_volume   273.93
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.64  1.0
  Y  Y1  3  0.0  0.0  -0.0  1.0
  W  W2  3  0.0  0.0  0.21  1.0
  W  W3  3  0.0  0.0  0.43  1.0

Ba Y W W
BaYW2 crystallizes in the trigonal R3m space group. Ba(1) is bonded in a distorted single-bond geometry to three equivalent Y(1), three equivalent W(1), and four equivalent W(2) atoms. All Ba(1)-Y(1) bond lengths are 2.94 Å. All Ba(1)-W(1) bond lengths are 3.14 Å. There is one shorter (2.64 Å) and three longer (3.28 Å) Ba(1)-W(2) bond lengths. Y(1) is bonded in a 10-coordinate geometry to three equivalent Ba(1), three equivalent W(2), and four equivalent W(1) atoms. All Y(1)-W(2) bond lengths are 3.14 Å. There is one shorter (2.64 Å) and three longer (3.28 Å) Y(1)-W(1) bond lengths. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 1-coordinate geometry to three equivalent Ba(1) and four equivalent Y(1) atoms. In the second W site, W(2) is bonded in a distorted single-bond geometry to four equivalent Ba(1) and three equivalent Y(1) atoms.