data_Zr2WCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   3.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2WCl
_chemical_formula_sum   'Zr2 W1 Cl1'
_cell_volume   77.45
_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
  Zr  Zr2  1  0.46  0.0  0.6  1.0
  Zr  Zr3  1  0.0  0.46  0.6  1.0
  W  W1  1  0.46  0.46  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Zr2WCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   3.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2WCl
_chemical_formula_sum   'Zr4 W2 Cl2'
_cell_volume   154.9
_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
  Zr  Zr0  4  0.23  0.23  0.6  1.0
  W  W1  2  0.46  0.0  -0.0  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Zr Zr W Cl
Zr Zr W Cl 0 3 o o o 0 3 o o + 0 3 + o o 0 3 + o + 0 1 o o o 0 2 o - o 0 2 o - + 0 2 o o o 0 2 o o + 0 0 o o + 1 2 - o o 1 2 - o + 1 2 o o o 1 2 o o + 1 3 o o o 1 3 o o + 1 3 o + o 1 3 o + + 1 1 o o + 2 3 o o o 2 2 o o + 3 3 o o + 
Zr2WCl crystallizes in the monoclinic Cm space group. Zr(1) is bonded in a 8-coordinate geometry to four equivalent W(1) and four equivalent Cl(1) atoms. There are a spread of Zr(1)-W(1) bond distances ranging from 2.62-3.26 Å. There are a spread of Zr(1)-Cl(1) bond distances ranging from 2.62-3.26 Å. W(1) is bonded in a 8-coordinate geometry to eight equivalent Zr(1) atoms. Cl(1) is bonded in a 8-coordinate geometry to eight equivalent Zr(1) atoms.