data_SnW4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93
_cell_length_b   7.93
_cell_length_c   7.93
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnW4
_chemical_formula_sum   'Sn4 W16'
_cell_volume   383.68
_cell_formula_units_Z   4
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
  Sn  Sn0  1  0.59  0.59  0.59  1.0
  Sn  Sn1  1  0.01  0.99  0.99  1.0
  Sn  Sn2  1  0.99  0.01  0.99  1.0
  Sn  Sn3  1  0.99  0.99  0.01  1.0
  W  W4  1  0.12  0.12  0.12  1.0
  W  W5  1  0.54  0.46  0.46  1.0
  W  W6  1  0.46  0.54  0.46  1.0
  W  W7  1  0.46  0.46  0.54  1.0
  W  W8  1  0.0  0.0  0.01  1.0
  W  W9  1  0.0  0.0  0.14  1.0
  W  W10  1  0.0  0.01  0.0  1.0
  W  W11  1  0.0  0.14  0.0  1.0
  W  W12  1  0.01  0.0  0.0  1.0
  W  W13  1  0.14  0.0  0.0  1.0
  W  W14  1  0.58  0.0  0.29  1.0
  W  W15  1  0.0  0.58  0.29  1.0
  W  W16  1  0.0  0.29  0.58  1.0
  W  W17  1  0.58  0.29  0.0  1.0
  W  W18  1  0.29  0.58  0.0  1.0
  W  W19  1  0.29  0.0  0.58  1.0

data_SnW4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.95
_cell_length_b   12.95
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SnW4
_chemical_formula_sum   'Sn12 W48'
_cell_volume   1151.03
_cell_formula_units_Z   12
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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  Sn  Sn0  9  0.01  0.01  1.0  1.0
  Sn  Sn1  3  0.0  0.0  0.59  1.0
  W  W2  18  0.0  0.29  0.29  1.0
  W  W3  9  0.01  0.0  0.0  1.0
  W  W4  9  0.05  0.03  0.49  1.0
  W  W5  9  0.1  0.05  0.05  1.0
  W  W6  3  0.0  0.0  0.12  1.0

Sn Sn Sn Sn W W W W W W W W W W W W W W W W
W4Sn crystallizes in the trigonal R3m space group. There are five inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to three equivalent W(3) and three equivalent W(4) atoms. All W(1)-W(3) bond lengths are 0.89 Å. All W(1)-W(4) bond lengths are 1.21 Å. In the second W site, W(2) is bonded in a 3-coordinate geometry to two equivalent W(2), two equivalent W(5), and one Sn(1) atom. Both W(2)-W(2) bond lengths are 0.99 Å. Both W(2)-W(5) bond lengths are 3.62 Å. The W(2)-Sn(1) bond length is 0.97 Å. In the third W site, W(3) is bonded in a distorted single-bond geometry to one W(1) and one Sn(2) atom. The W(3)-Sn(2) bond length is 0.07 Å. In the fourth W site, W(4) is bonded in a distorted single-bond geometry to one W(1), four equivalent W(5), and one Sn(2) atom. There are two shorter (3.43 Å) and two longer (3.88 Å) W(4)-W(5) bond lengths. The W(4)-Sn(2) bond length is 1.04 Å. In the fifth W site, W(5) is bonded in a 7-coordinate geometry to one W(2), two equivalent W(4), and four equivalent W(5) atoms. There are two shorter (2.83 Å) and two longer (3.74 Å) W(5)-W(5) bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to three equivalent W(2) atoms. In the second Sn site, Sn(2) is bonded in a single-bond geometry to one W(3) and one W(4) atom.