data_Zn3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3W
_chemical_formula_sum   'Zn12 W4'
_cell_volume   231.88
_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
  Zn  Zn4  1  0.64  0.36  0.0  1.0
  Zn  Zn5  1  0.64  0.36  0.51  1.0
  Zn  Zn6  1  0.0  0.57  0.76  1.0
  Zn  Zn7  1  0.63  0.93  0.76  1.0
  Zn  Zn8  1  0.36  0.78  0.25  1.0
  Zn  Zn9  1  0.72  0.0  0.0  1.0
  Zn  Zn10  1  0.72  0.0  0.51  1.0
  Zn  Zn11  1  0.36  0.36  0.0  1.0
  Zn  Zn12  1  0.36  0.36  0.51  1.0
  Zn  Zn13  1  0.37  0.93  0.76  1.0
  Zn  Zn14  1  0.09  0.78  0.25  1.0
  Zn  Zn15  1  0.72  0.15  0.25  1.0
  W  W0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.0  0.51  1.0
  W  W2  1  0.0  0.15  0.25  1.0
  W  W3  1  0.72  0.57  0.76  1.0

data_Zn3W
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3W
_chemical_formula_sum   'Zn12 W4'
_cell_volume   231.88
_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
  Zn  Zn0  1  -0.0  0.57  0.76  1.0
  Zn  Zn1  1  0.09  0.78  0.25  1.0
  Zn  Zn2  1  0.36  0.78  0.25  1.0
  Zn  Zn3  1  0.36  0.36  0.0  1.0
  Zn  Zn4  1  0.36  0.36  0.51  1.0
  Zn  Zn5  1  0.37  0.93  0.76  1.0
  Zn  Zn6  1  0.63  0.93  0.76  1.0
  Zn  Zn7  1  0.64  0.36  0.0  1.0
  Zn  Zn8  1  0.64  0.36  0.51  1.0
  Zn  Zn9  1  0.72  0.0  0.0  1.0
  Zn  Zn10  1  0.72  0.0  0.51  1.0
  Zn  Zn11  1  0.72  0.15  0.25  1.0
  W  W12  1  -0.0  0.15  0.25  1.0
  W  W13  1  0.0  0.0  0.0  1.0
  W  W14  1  0.0  0.0  0.51  1.0
  W  W15  1  0.72  0.57  0.76  1.0

Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn W W W W
WZn3 crystallizes in the triclinic P1 space group. There are three inequivalent W sites. In the first W site, W(1,2) is bonded in a distorted bent 120 degrees geometry to one Zn(11), one Zn(6), and one Zn(8) atom. The W(1,2)-Zn(11) bond length is 2.74 Å. The W(1,2)-Zn(6) bond length is 1.50 Å. The W(1,2)-Zn(8) bond length is 1.97 Å. In the second W site, W(3) is bonded in a distorted single-bond geometry to one Zn(11), one Zn(12), and one Zn(5) atom. The W(3)-Zn(11) bond length is 2.25 Å. The W(3)-Zn(12) bond length is 1.51 Å. The W(3)-Zn(5) bond length is 3.02 Å. In the third W site, W(4) is bonded in a 1-coordinate geometry to one Zn(1), one Zn(2), one Zn(3), and one Zn(4) atom. The W(4)-Zn(1) bond length is 2.35 Å. The W(4)-Zn(2) bond length is 2.51 Å. The W(4)-Zn(3) bond length is 1.51 Å. The W(4)-Zn(4) bond length is 2.25 Å. There are twelve inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 2-coordinate geometry to one W(4) and one Zn(8) atom. The Zn(1)-Zn(8) bond length is 1.50 Å. In the second Zn site, Zn(2) is bonded in a 2-coordinate geometry to one W(4) and one Zn(9) atom. The Zn(2)-Zn(9) bond length is 1.50 Å. In the third Zn site, Zn(3) is bonded in a single-bond geometry to one W(4) atom. In the fourth Zn site, Zn(4) is bonded in a 2-coordinate geometry to one W(4) and one Zn(10) atom. The Zn(4)-Zn(10) bond length is 1.46 Å. In the fifth Zn site, Zn(5) is bonded in a 3-coordinate geometry to one W(3), one Zn(11), and one Zn(12) atom. The Zn(5)-Zn(11) bond length is 1.46 Å. The Zn(5)-Zn(12) bond length is 1.99 Å. In the sixth Zn site, Zn(6) is bonded in a single-bond geometry to one W(1,2) atom. In the seventh Zn site, Zn(7) is bonded in a single-bond geometry to one W(1,2) atom. The Zn(7)-W(1,2) bond length is 1.50 Å. In the eighth Zn site, Zn(8) is bonded in a 2-coordinate geometry to one W(1,2) and one Zn(1) atom. In the ninth Zn site, Zn(9) is bonded in a 2-coordinate geometry to one W(1,2) and one Zn(2) atom. The Zn(9)-W(1,2) bond length is 1.97 Å. In the tenth Zn site, Zn(10) is bonded in a 1-coordinate geometry to one Zn(4) atom. In the eleventh Zn site, Zn(11) is bonded in a 4-coordinate geometry to one W(3); two equivalent W(1,2); and one Zn(5) atom. In the twelfth Zn site, Zn(12) is bonded in a single-bond geometry to one W(3) and one Zn(5) atom.