data_SnMo4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnMo4W
_chemical_formula_sum   'Sn1 Mo4 W1'
_cell_volume   102.85
_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
  Sn  Sn4  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.79  0.79  0.65  1.0
  Mo  Mo1  1  0.79  0.65  0.79  1.0
  Mo  Mo2  1  0.65  0.79  0.79  1.0
  Mo  Mo3  1  0.65  0.65  0.65  1.0
  W  W5  1  0.86  0.86  0.86  1.0

data_SnMo4W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   12.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SnMo4W
_chemical_formula_sum   'Sn3 Mo12 W3'
_cell_volume   308.55
_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
  Sn  Sn0  3  0.0  0.0  0.0  1.0
  Mo  Mo1  9  0.09  0.05  0.26  1.0
  Mo  Mo2  3  0.0  0.0  0.35  1.0
  W  W3  3  0.0  0.0  0.14  1.0

Sn Mo Mo Mo Mo W
WMo4Sn crystallizes in the trigonal R3m space group. W(1) is bonded in a distorted single-bond geometry to three equivalent Mo(1) and one Sn(1) atom. All W(1)-Mo(1) bond lengths are 1.57 Å. The W(1)-Sn(1) bond length is 1.81 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one W(1), one Mo(2), two equivalent Mo(1), and one Sn(1) atom. The Mo(1)-Mo(2) bond length is 1.25 Å. Both Mo(1)-Mo(1) bond lengths are 0.72 Å. The Mo(1)-Sn(1) bond length is 2.79 Å. In the second Mo site, Mo(2) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. Sn(1) is bonded in a distorted single-bond geometry to one W(1) and three equivalent Mo(1) atoms.