data_Y4WCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4WCl
_chemical_formula_sum   'Y4 W1 Cl1'
_cell_volume   168.02
_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  Y2  1  0.31  0.31  0.45  1.0
  Y  Y3  1  0.31  0.45  0.31  1.0
  Y  Y4  1  0.45  0.31  0.31  1.0
  Y  Y5  1  0.45  0.45  0.45  1.0
  W  W1  1  0.19  0.19  0.19  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Y4WCl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   15.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y4WCl
_chemical_formula_sum   'Y12 W3 Cl3'
_cell_volume   504.06
_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  0.05  0.09  0.64  1.0
  Y  Y1  3  0.0  0.0  0.55  1.0
  W  W2  3  0.0  0.0  0.81  1.0
  Cl  Cl3  3  0.0  0.0  0.0  1.0

Y Y Y Y W Cl
Y4WCl crystallizes in the trigonal R3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 5-coordinate geometry to one Y(2), two equivalent Y(1), one W(1), and one Cl(1) atom. The Y(1)-Y(2) bond length is 1.45 Å. Both Y(1)-Y(1) bond lengths are 0.84 Å. The Y(1)-W(1) bond length is 2.58 Å. The Y(1)-Cl(1) bond length is 3.11 Å. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to three equivalent Y(1) and three equivalent W(1) atoms. All Y(2)-W(1) bond lengths are 3.76 Å. W(1) is bonded to three equivalent Y(1), three equivalent Y(2), and one Cl(1) atom to form distorted WY6Cl pentagonal bipyramids that share corners with six equivalent W(1)Y6Cl pentagonal bipyramids and corners with three equivalent Cl(1)Y3W trigonal pyramids. The W(1)-Cl(1) bond length is 2.88 Å. Cl(1) is bonded to three equivalent Y(1) and one W(1) atom to form ClY3W trigonal pyramids that share corners with three equivalent W(1)Y6Cl pentagonal bipyramids.