data_BaZn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZn2W
_chemical_formula_sum   'Ba1 Zn2 W1'
_cell_volume   81.76
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.53  0.53  0.04  1.0
  Zn  Zn3  1  0.53  0.53  0.64  1.0
  W  W1  1  0.0  0.0  0.34  1.0

data_BaZn2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaZn2W
_chemical_formula_sum   'Ba2 Zn4 W2'
_cell_volume   163.53
_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
  Ba  Ba0  2  0.0  0.0  0.0  1.0
  Zn  Zn1  2  0.03  0.5  0.04  1.0
  Zn  Zn2  2  0.03  0.5  0.64  1.0
  W  W3  2  0.0  0.0  0.34  1.0

Ba Zn Zn W
BaWZn2 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 5-coordinate geometry to one W(1), four equivalent Zn(1), and four equivalent Zn(2) atoms. The Ba(1)-W(1) bond length is 2.95 Å. There are a spread of Ba(1)-Zn(1) bond distances ranging from 2.05-2.35 Å. There are a spread of Ba(1)-Zn(2) bond distances ranging from 3.73-3.91 Å. W(1) is bonded in a 13-coordinate geometry to one Ba(1), four equivalent W(1), four equivalent Zn(1), and four equivalent Zn(2) atoms. All W(1)-W(1) bond lengths are 3.07 Å. There are a spread of W(1)-Zn(1) bond distances ranging from 3.29-3.48 Å. There are a spread of W(1)-Zn(2) bond distances ranging from 3.29-3.48 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted square co-planar geometry to four equivalent Ba(1) and four equivalent W(1) atoms. In the second Zn site, Zn(2) is bonded to four equivalent Ba(1), four equivalent W(1), and four equivalent Zn(2) atoms to form a mixture of distorted corner and face-sharing ZnBa4Zn4W4 cuboctahedra. All Zn(2)-Zn(2) bond lengths are 3.07 Å.