data_Y2Zn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   118.9
_cell_angle_beta   118.9
_cell_angle_gamma   91.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Zn2W
_chemical_formula_sum   'Y2 Zn2 W1'
_cell_volume   114.28
_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  Y1  1  0.0  0.75  0.88  1.0
  Y  Y2  1  0.75  0.0  0.88  1.0
  Zn  Zn3  1  0.0  0.0  0.93  1.0
  Zn  Zn4  1  0.0  0.0  0.6  1.0
  W  W0  1  0.0  0.0  0.0  1.0

data_Y2Zn2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.53
_cell_length_b   7.79
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   134.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2Zn2W
_chemical_formula_sum   'Y4 Zn4 W2'
_cell_volume   228.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Y0  4  0.12  0.12  0.12  1.0
  Zn  Zn1  2  0.0  0.0  0.07  1.0
  Zn  Zn2  2  0.0  0.0  0.4  1.0
  W  W3  2  0.0  0.0  0.0  1.0

Y Y Zn Zn W
Y Y Zn Zn W 0 4 o + + 0 2 o + o 1 4 + o + 1 2 + o o 2 4 o o + 2 3 o o o 
Y2WZn2 crystallizes in the monoclinic Cm space group. Y(1) is bonded in a 2-coordinate geometry to one W(1), one Zn(1), and three equivalent Zn(2) atoms. The Y(1)-W(1) bond length is 1.17 Å. The Y(1)-Zn(1) bond length is 1.23 Å. There are a spread of Y(1)-Zn(2) bond distances ranging from 2.45-3.61 Å. W(1) is bonded in a distorted single-bond geometry to two equivalent Y(1), one Zn(1), and one Zn(2) atom. The W(1)-Zn(1) bond length is 0.38 Å. The W(1)-Zn(2) bond length is 3.27 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to two equivalent Y(1), one W(1), and one Zn(2) atom. The Zn(1)-Zn(2) bond length is 1.76 Å. In the second Zn site, Zn(2) is bonded in a 8-coordinate geometry to six equivalent Y(1), one W(1), and one Zn(1) atom.