data_CuSnW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnW2
_chemical_formula_sum   'Cu1 Sn1 W2'
_cell_volume   65.77
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.81  0.81  0.81  1.0
  W  W2  1  0.2  0.2  0.2  1.0
  W  W3  1  0.6  0.6  0.6  1.0

data_CuSnW2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   11.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CuSnW2
_chemical_formula_sum   'Cu3 Sn3 W6'
_cell_volume   197.32
_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
  Cu  Cu0  3  0.0  0.0  0.0  1.0
  Sn  Sn1  3  0.0  0.0  0.19  1.0
  W  W2  3  0.0  0.0  0.4  1.0
  W  W3  3  0.0  0.0  0.8  1.0

Cu Sn W W
W2CuSn crystallizes in the trigonal R3m space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 1-coordinate geometry to three equivalent W(2), one Cu(1), and three equivalent Sn(1) atoms. All W(1)-W(2) bond lengths are 2.71 Å. The W(1)-Cu(1) bond length is 2.26 Å. All W(1)-Sn(1) bond lengths are 2.71 Å. In the second W site, W(2) is bonded in a 10-coordinate geometry to three equivalent W(1), three equivalent Cu(1), and four equivalent Sn(1) atoms. All W(2)-Cu(1) bond lengths are 2.71 Å. There is one shorter (2.26 Å) and three longer (2.98 Å) W(2)-Sn(1) bond lengths. Cu(1) is bonded in a 5-coordinate geometry to one W(1), three equivalent W(2), and one Sn(1) atom. The Cu(1)-Sn(1) bond length is 2.16 Å. Sn(1) is bonded in a 5-coordinate geometry to three equivalent W(1), four equivalent W(2), and one Cu(1) atom.