data_Y3WCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3WCl
_chemical_formula_sum   'Y3 W1 Cl1'
_cell_volume   128.33
_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  Y0  1  0.0  0.52  0.0  1.0
  Y  Y1  1  0.0  0.0  0.52  1.0
  Y  Y2  1  0.52  0.0  0.0  1.0
  W  W3  1  0.52  0.52  0.52  1.0
  Cl  Cl4  1  0.0  0.0  0.0  1.0

data_Y3WCl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.13
_cell_length_b   7.13
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y3WCl
_chemical_formula_sum   'Y9 W3 Cl3'
_cell_volume   384.99
_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
  Y  Y0  9  0.01  0.51  0.51  1.0
  W  W1  3  0.0  0.0  0.52  1.0
  Cl  Cl2  3  0.0  0.0  0.0  1.0

Y Y Y W Cl
Y3WCl is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Y(1) is bonded in a distorted linear geometry to four equivalent W(1) and two equivalent Cl(1) atoms. There are a spread of Y(1)-W(1) bond distances ranging from 3.41-3.72 Å. There is one shorter (2.41 Å) and one longer (2.63 Å) Y(1)-Cl(1) bond length. W(1) is bonded to twelve equivalent Y(1) atoms to form WY12 cuboctahedra that share corners with twelve equivalent W(1)Y12 cuboctahedra, faces with six equivalent W(1)Y12 cuboctahedra, and faces with eight equivalent Cl(1)Y6 octahedra. Cl(1) is bonded to six equivalent Y(1) atoms to form ClY6 octahedra that share corners with six equivalent Cl(1)Y6 octahedra and faces with eight equivalent W(1)Y12 cuboctahedra. The corner-sharing octahedra are not tilted.