data_BaSnW3
_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   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnW3
_chemical_formula_sum   'Ba1 Sn1 W3'
_cell_volume   129.05
_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  0.53  0.53  0.53  1.0
  Sn  Sn4  1  0.0  0.0  0.0  1.0
  W  W1  1  0.53  0.0  0.53  1.0
  W  W2  1  0.53  0.53  0.0  1.0
  W  W3  1  0.0  0.53  0.53  1.0

data_BaSnW3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.15
_cell_length_b   7.15
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaSnW3
_chemical_formula_sum   'Ba3 Sn3 W9'
_cell_volume   387.15
_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  0.53  1.0
  Sn  Sn1  3  0.0  0.0  0.0  1.0
  W  W2  9  0.18  0.35  0.35  1.0

Ba Sn W W W
BaW3Sn is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Ba(1) is bonded to six equivalent W(1) atoms to form BaW6 octahedra that share corners with six equivalent Ba(1)W6 octahedra, edges with three equivalent Sn(1)W9 cuboctahedra, and faces with four equivalent Sn(1)W9 cuboctahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.39 Å) and three longer (2.66 Å) Ba(1)-W(1) bond lengths. W(1) is bonded in a distorted linear geometry to two equivalent Ba(1) and three equivalent Sn(1) atoms. There is one shorter (3.38 Å) and two longer (3.58 Å) W(1)-Sn(1) bond lengths. Sn(1) is bonded to nine equivalent W(1) atoms to form distorted SnW9 cuboctahedra that share corners with six equivalent Sn(1)W9 cuboctahedra, edges with six equivalent Sn(1)W9 cuboctahedra, edges with three equivalent Ba(1)W6 octahedra, and faces with four equivalent Ba(1)W6 octahedra.